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Article

Ahmed, Ahmed Abdullah; Chen, Shuang; Roman-Escorza, Maria; Angell, Richard; Oxenford, Sally; McConville, Matthew; Barton, Naomi; ... Neidle, Stephen; + view all (2024) Structure–activity relationships for the G-quadruplex-targeting experimental drug QN-302 and two analogues probed with comparative transcriptome profiling and molecular modeling. Scientific Reports , 14 , Article 3447. 10.1038/s41598-024-54080-2. Green open access
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Akere, A; Chen, SH; Liu, X; Chen, Y; Dantu, SC; Pandini, A; Bhowmik, D; (2020) Structure-based enzyme engineering improves donor-substrate recognition of Arabidopsis thaliana Glycosyltransferases. Biochemical Journal , 477 (15) pp. 2791-2805. 10.1042/BCJ20200477. Green open access
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Alanazi, Abeer FR; Haider, Shozeb; Parkinson, Gary N; (2024) The use of single-molecule FRET for the characterization of Holliday junctions containing human telomeric DNA: a methodological approach for nanoscale distance, mobility, and stability measurements. Medicinal Chemistry Research , 33 pp. 2066-2078. 10.1007/s00044-024-03197-0. Green open access
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Alanazi, Abeer FR; Parkinson, Gary N; Haider, Shozeb; (2024) Structural Motifs at the Telomeres and Their Role in Regulatory Pathways. Biochemistry 10.1021/acs.biochem.4c00023. (In press). Green open access
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Allington, G; Duy, PQ; Ryou, J; Singh, A; Kiziltug, E; Robert, S; Kundishora, AJ; ... Jin, SC; + view all (2022) Genomic approaches to improve the clinical diagnosis and management of patients with congenital hydrocephalus. Journal of Neurosurgery: Pediatrics , 29 (2) pp. 168-177. 10.3171/2021.8.PEDS21368. Green open access
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Allington, Garrett; Mehta, Neel H; Dennis, Evan; Mekbib, Kedous Y; Reeves, Benjamin; Kiziltug, Emre; Chen, Shuang; ... Kahle, Kristopher T; + view all (2024) De novo variants disrupt an LDB1-regulated transcriptional network in congenital ventriculomegaly. Brain , Article awae395. 10.1093/brain/awae395. (In press). Green open access
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Allocco, AA; Jin, SC; Duy, PQ; Furey, CG; Zeng, X; Dong, W; Nelson-Williams, C; ... Kahle, KT; + view all (2019) Recessive Inheritance of Congenital Hydrocephalus With Other Structural Brain Abnormalities Caused by Compound Heterozygous Mutations in ATP1A3. Frontiers in Cellular Neuroscience , 13 , Article 425. 10.3389/fncel.2019.00425. Green open access
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Alnami, A; Norton, RS; Perez Pena, H; Haider, S; Kozielski, F; (2021) Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ. Journal of Molecular Biology , 433 (15) , Article 167061. 10.1016/j.jmb.2021.167061. Green open access
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Barnes, MD; Taracila, MA; Rutter, JD; Bethel, CR; Galdadas, I; Hujer, AM; Caselli, E; ... Bonomo, RA; + view all (2018) Deciphering the Evolution of Cephalosporin Resistance to Ceftolozane-Tazobactam in Pseudomonas aeruginosa. mBio , 9 (6) , Article e02085. 10.1128/mBio.02085-18. Green open access
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Bidaux, G; Sgobba, M; Lemonnier, L; Borowiec, A-S; Noyer, L; Jovanovic, S; Zholos, AV; (2015) Functional and Modeling Studies of the Transmembrane Region of the TRPM8 Channel. Biophysical Journal , 109 (9) pp. 1840-1851. 10.1016/j.bpj.2015.09.027. Green open access
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Bončina, M; Hamon, F; Islam, B; Teulade-Fichou, MP; Vesnaver, G; Haider, S; Lah, J; (2015) Dominant Driving Forces in Human Telomere Quadruplex Binding-Induced Structural Alterations. Biophysical Journal , 108 (12) pp. 2903-2911. 10.1016/j.bpj.2015.05.001. Green open access
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Borsatto, Alberto; Akkad, Obaeda; Galdadas, Ioannis; Ma, Shumeng; Damfo, Shymaa; Haider, Shozeb; Kozielski, Frank; ... Gervasio, Francesco Luigi; + view all (2022) Revealing druggable cryptic pockets in the Nsp1 of SARS-CoV-2 and other β-coronaviruses by simulations and crystallography. eLife , 11 , Article e81167. 10.7554/eLife.81167. Green open access
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Brunetti, Florencia; Gutkind, Gabriel; Gao, Lin; Haider, Shozeb; Bonomo, Robert A; Power, Pablo; (2025) Impact of the double deletion ΔG242-T243 in KPC-2 in the effectiveness of ceftazidime-avibactam and imipenem-relebactam. Antimicrobial Agents and Chemotherapy , 69 (6) , Article e0191524. 10.1128/aac.01915-24. Green open access
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Bux, K; Shen, X; Tariq, M; Yin, J; Moin, ST; Bhowmik, D; Haider, S; (2021) Inter-Subunit Dynamics Controls Tunnel Formation During the Oxygenation Process in Hemocyanin Hexamers. Frontiers in Molecular Biosciences , 8 , Article ARTN 710. 10.3389/fmolb.2021.710623. Green open access
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Chay, SK; Keating, AV; James, C; Aliev, A; Haider, S; Craig, DQM; (2018) Evaluation of the taste-masking effects of (2-hydroxypropyl)-β-cyclodextrin on ranitidine hydrochloride; a combined biosensor, spectroscopic and molecular modelling assessment. RSC Advances (8) pp. 3564-3573. 10.1039/C7RA11015D. Green open access
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Chen, Shuang; Akram, Ekram; Liang, Hui; Qiao, Weili; Zhang, Yifei; Haider, Shozeb; Cao, Yufei; (2025) Insight into how PETase Functions at the Solid-Liquid Interface and an Activity-Stability Trade-Off. Angewandte Chemie , 137 (37) , Article e202511131. 10.1002/ange.202511131.

Chen, Shuang; Akram, Ekram; Liang, Hui; Qiao, Weili; Zhang, Yifei; Shozeb, Haider; Cao, Yufei; (2025) Insight into how PETase Functions at the Solid-Liquid Interface and an Activity-Stability Trade-Off. Angewandte Chemie - International Edition , 64 (37) , Article e202511131. 10.1002/anie.202511131.

Cho, E; Rosa, M; Anjum, R; Mehmood, S; Soban, M; Mujtaba, M; Bux, K; ... Haider, S; + view all (2021) Dynamic Profiling of β-Coronavirus 3CL Mpro Protease Ligand-Binding Sites. Journal of Chemical Information and Modeling , 61 (6) pp. 3058-3073. 10.1021/acs.jcim.1c00449. Green open access
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Collie, GW; Haider, SM; Neidle, S; Parkinson, GN; (2010) A crystallographic and modelling study of a human telomeric RNA (TERRA) quadruplex. Nucleic Acids Res , 38 (16) 5569 - 5580. 10.1093/nar/gkq259. Green open access
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Darbari, VC; Ciccone, J; Patel, JS; Islam, B; Agarwal, PK; Haider, S; (2020) Electrostatic Switching Controls Channel Dynamics of the Sensor Protein VirB10 in A. tumefaciens Type IV Secretion System. ACS Omega , 5 (7) pp. 3271-3281. 10.1021/acsomega.9b03313. Green open access
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Dong, W; Jin, SC; Allocco, A; Zeng, X; Sheth, AH; Panchagnula, S; Castonguay, A; ... Kahle, KT; + view all (2020) Exome Sequencing Implicates Impaired GABA Signaling and Neuronal Ion Transport in Trigeminal Neuralgia. iScience , 23 (10) , Article 101552. 10.1016/j.isci.2020.101552. Green open access
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Duran, D; Zeng, X; Jin, SC; Choi, J; Nelson-Williams, C; Yatsula, B; Gaillard, J; ... Kahle, KT; + view all (2019) Mutations in Chromatin Modifier and Ephrin Signaling Genes in Vein of Galen Malformation. Neuron , 101 10.1016/j.neuron.2018.11.041. Green open access
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Duy, Phan Q; Jux, Bettina; Zhao, Shujuan; Mekbib, Kedous Y; Dennis, Evan; Dong, Weilai; Nelson-Williams, Carol; ... Kahle, Kristopher T; + view all (2024) TRIM71 mutations cause a neurodevelopmental syndrome featuring ventriculomegaly and hydrocephalus. Brain , 147 (12) pp. 4292-4305. 10.1093/brain/awae175. Green open access
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Furey, CG; Choi, J; Jin, SC; Zeng, X; Timberlake, AT; Nelson-Williams, C; Mansuri, MS; ... Kahle, KT; + view all (2018) De Novo Mutation in Genes Regulating Neural Stem Cell Fate in Human Congenital Hydrocephalus. Neuron , 99 (2) pp. 302-314. 10.1016/j.neuron.2018.06.019. Green open access
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Galdadas, I; Carlino, L; Ward, RA; Hughes, SJ; Haider, S; Gervasio, FL; (2021) Structural basis of the effect of activating mutations on the EGF receptor. eLife , 10 , Article e65824. 10.7554/eLife.65824. Green open access
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Galdadas, I; Lovera, S; Pérez-Hernández, G; Barnes, MD; Healy, J; Afsharikho, H; Woodford, N; ... Haider, S; + view all (2018) Defining the architecture of KPC-2 Carbapenemase: identifying allosteric networks to fight antibiotics resistance. Scientific Reports , 8 (1) , Article 12916. 10.1038/s41598-018-31176-0. Green open access
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Galdadas, I; Qu, S; Oliveira, ASF; Olehnovics, E; Mack, AR; Mojica, MF; Agarwal, PK; ... Haider, S; + view all (2021) Allosteric communication in class A β-lactamases occurs via cooperative coupling of loop dynamics. eLife , 10 10.7554/eLife.66567. (In press). Green open access
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Gao, Chao; Liu, Zhu; Hou, Haitao; Ding, Jieqin; Chen, Xin; Xie, Congbao; Song, Zibing; ... Wei, Dengguo; + view all (2020) BMPQ-1 binds selectively to (3+1) hybrid topologies in human telomeric G-quadruplex multimers. Nucleic Acids Research , 48 (20) pp. 11259-11269. 10.1093/nar/gkaa870. Green open access
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Gera, S; Sant, D; Haider, S; Korkmaz, F; Kuo, T-C; Mathew, M; Perez-Pena, H; ... Zaidi, M; + view all (2020) First-in-class humanized FSH blocking antibody targets bone and fat. Proceedings of the National Academy of Sciences of the United States of America , 117 (46) pp. 28971-28979. 10.1073/pnas.2014588117. Green open access
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Gluszynska, Agata; Kosman, Joanna; Chuah, Shang Shiuan; Hoffmann, Marcin; Haider, Shozeb; (2024) Carbazole Derivatives Binding to Bcl-2 Promoter Sequence G-quadruplex. Pharmaceuticals , 17 (7) , Article 912. 10.3390/ph17070912. Green open access
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Głuszyńska, A; Juskowiak, B; Kuta-Siejkowska, M; Hoffmann, M; Haider, S; (2018) Carbazole ligands as c-myc G-quadruplex binders. International Journal of Biological Macromolecules , 114 pp. 479-490. 10.1016/j.ijbiomac.2018.03.135. Green open access
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Głuszyńska, A; Juskowiak, B; Kuta-Siejkowska, M; Hoffmann, M; Haider, S; (2018) Carbazole Derivatives' Binding to c-KIT G-Quadruplex DNA. Molecules , 23 (5) , Article 1134. 10.3390/molecules23051134. Green open access
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Gu, J; Agarwal, PK; Bonomo, RA; Haider, S; (2025) Evolutionary Dynamics and Functional Differences in Clinically Relevant Pen β-Lactamases from Burkholderia spp. Journal of Chemical Information and Modeling , 65 (10) pp. 5086-5098. 10.1021/acs.jcim.5c00271. Green open access
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Guneri, Dilek; Alexandrou, Effrosyni; El Omari, Kamel; Dvorakova, Zuzana; Chikhale, Rupesh V; Pike, Daniel TS; Waudby, Christopher A; ... Waller, Zoe AE; + view all (2024) Structural insights into i-motif DNA structures in sequences from the insulin-linked polymorphic region. Nature Communications , 15 (1) , Article 7119. 10.1038/s41467-024-50553-0. Green open access
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Guneri, Dilek; Rosonovski, Summer; Alexandrou, Effrosyni; Chen, Shuang; King, Jessica; Waudby, Christopher A; Haider, Shozeb; ... Waller, Zoë AE; + view all (2025) Affinity-selected peptide ligands specifically bind i-motif DNA and modulate c-Myc gene expression. Nucleic Acids Research , 53 (20) , Article gkaf1052. 10.1093/nar/gkaf1052. Green open access
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Haider, S; (2018) Computational Methods to Study G-Quadruplex-Ligand Complexes. Journal of the Indian Institute of Science , 98 (3) pp. 325-339. 10.1007/s41745-018-0083-3. Green open access
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Haider, S; Li, P; Khiali, S; Munnur, D; Ramanathan, A; Parkinson, GN; (2018) Holliday Junctions Formed from Human Telomeric DNA. Journal of the American Chemical Society , 140 (45) pp. 15366-15374. 10.1021/jacs.8b08699. Green open access
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Haider, S; Parkinson, GN; Marsh, TC; (2018) G-Quadruplexes (GQU). Journal of Nucleic Acids , 2018 , Article 1079191. 10.1155/2018/1079191. Green open access
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Haldar, Susanta; Zhang, Yashu; Xia, Ying; Islam, Barira; Liu, Sisi; Gervasio, FL; Mulholland, AJ; ... Haider, S; + view all (2022) Mechanistic Insights into the Ligand-Induced Unfolding of an RNA G-Quadruplex. Journal of the American Chemical Society , 144 (2) pp. 935-950. 10.1021/jacs.1c11248. Green open access
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Homer, JA; Koelln, RA; Barrow, AS; Gialelis, TL; Boiarska, Z; Steinohrt, NS; Lee, EF; ... Moses, JE; + view all (2024) Modular synthesis of functional libraries by accelerated SuFEx click chemistry. Chemical Science , 15 (11) pp. 3879-3892. 10.1039/d3sc05729a. Green open access
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Indorato, R-L; Talapatra, SK; Lin, F; Haider, S; Mackay, SP; Kozielski, F; Skoufias, DA; (2019) Is the Fate of Clinical Candidate Arry-520 Already Sealed? Predicting Resistance in Eg5–Inhibitor Complexes. Molecular Cancer Therapeutics , 18 (12) pp. 2394-2406. 10.1158/1535-7163.MCT-19-0154. Green open access
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Islam, B; Stadlbauer, P; Gil-Ley, A; Pérez-Hernández, G; Haider, S; Neidle, S; Bussi, G; ... Sponer, J; + view all (2017) Exploring the Dynamics of Propeller Loops in Human Telomeric DNA Quadruplexes Using Atomistic Simulations. Journal of Chemical Theory and Computation , 13 (6) pp. 2458-2480. 10.1021/acs.jctc.7b00226. Green open access
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Islam, B; Stadlbauer, P; Krepl, M; Havrila, M; Haider, S; Sponer, J; (2018) Structural Dynamics of Lateral and Diagonal Loops of Human Telomeric G-Quadruplexes in Extended MD Simulations. Journal of Chemical Theory and Computation , 14 (10) pp. 5011-5026. 10.1021/acs.jctc.8b00543. Green open access
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Islam, B; Stadlbauer, P; Krepl, M; Koca, J; Neidle, S; Haider, S; Sponer, J; (2015) Extended molecular dynamics of a c-kit promoter quadruplex. Nucleic Acids Research , 43 (18) pp. 8673-8693. 10.1093/nar/gkv785. Green open access
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Islam, B; Stadlbauer, P; Neidle, S; Haider, S; Sponer, J; (2016) Can We Execute Reliable MM-PBSA Free Energy Computations of Relative Stabilities of Different Guanine Quadruplex Folds? Journal of Physical Chemistry B , 120 (11) pp. 2899-2912. 10.1021/acs.jpcb.6b01059. Green open access
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Jafaripour, SS; Gharaghani, S; Nazarshodeh, E; Haider, S; Saboury, AA; (2020) In silico drug repositioning of FDA-approved drugs to predict new inhibitors for alpha-synuclein aggregation. Computational Biology and Chemistry , 88 , Article 107308. 10.1016/j.compbiolchem.2020.107308. Green open access
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Jamal, Sehrish; Moin, Syed Tarique; Haider, Shozeb; (2025) Exploring the structural and functional dynamics of trimeric and tetrameric states of influenza encoded PB1-F2 viroporin through molecular dynamics simulations. Journal of Molecular Graphics and Modelling , 137 , Article 108983. 10.1016/j.jmgm.2025.108983.

Ji, Y; Liu, P; Yuen, T; Haider, S; He, J; Romero, R; Chen, H; ... Zaidi, M; + view all (2018) Epitope-specific monoclonal antibodies to FSHβ increase bone mass. Proceedings of the National Academy of Sciences , 115 (9) pp. 2192-2197. 10.1073/pnas.1718144115. Green open access
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Jin, SC; Dong, W; Kundishora, AJ; Panchagnula, S; Moreno-De-Luca, A; Furey, CG; Allocco, AA; ... Kahle, KT; + view all (2020) Exome sequencing implicates genetic disruption of prenatal neuro-gliogenesis in sporadic congenital hydrocephalus. Nature Medicine , 26 (11) pp. 1754-1765. 10.1038/s41591-020-1090-2. Green open access
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Jin, SC; Homsy, J; Zaidi, S; Lu, Q; Morton, S; DePalma, SR; Zeng, X; ... Brueckner, M; + view all (2017) Contribution of rare inherited and de novo variants in 2,871 congenital heart disease probands. Nature Genetics , 49 pp. 1593-1601. 10.1038/ng.3970. Green open access
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Jin, SC; Lewis, SA; Bakhtiari, S; Zeng, X; Sierant, MC; Shetty, S; Nordlie, SM; ... Kruer, MC; + view all (2020) Mutations disrupting neuritogenesis genes confer risk for cerebral palsy. Nature Genetics , 52 pp. 1046-1056. 10.1038/s41588-020-0695-1. Green open access
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Kazemzadeh, Hamid; Bagheri, Mahsima; Sepehri, Maryam; Ebrahimi, Elham; Wang, Huan; Haider, Shozeb; Kheirabadi, Mitra; (2024) Isolation and Characterization of the Vascular Endothelial Growth Factor Receptor Targeting ScFv Antibody Fragments Derived from Phage Display Technology. ACS Omega , 9 (20) pp. 21964-21973. 10.1021/acsomega.3c10158. Green open access
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Khattab, A; Yuen, T; Al-Malki, S; Yau, M; Kazmi, D; Sun, L; Harbison, M; ... New, MI; + view all (2016) A rare CYP21A2 mutation in a congenital adrenal hyperplasia kindred displaying genotype-phenotype nonconcordance. Annals of the New York Academy of Sciences , 1364 (1) , Article Special Issue:MARROW. 10.1111/nyas.12864. Green open access
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Khattab, A; Haider, S; Kumar, A; Dhawan, S; Alam, D; Romero, R; Burns, J; ... New, MI; + view all (2017) Clinical, genetic, and structural basis of congenital adrenal hyperplasia due to 11 beta-hydroxylase deficiency. Proceedings of the National Academy of Sciences of the United States of America , 114 (10) E1933-E1940. 10.1073/pnas.1621082114/-/DCSupplemental. Green open access
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Khoshkhoo, S; Wang, Y; Chahine, Y; Erson-Omay, EZ; Robert, SM; Kiziltug, E; Damisah, EC; ... Kahle, KT; + view all (2023) Contribution of Somatic Ras/Raf/Mitogen-Activated Protein Kinase Variants in the Hippocampus in Drug-Resistant Mesial Temporal Lobe Epilepsy. JAMA Neurology , 80 (6) pp. 578-587. 10.1001/jamaneurol.2023.0473. Green open access
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Kim, S-M; Taneja, C; Perez-Pena, H; Ryu, V; Gumerova, A; Li, W; Ahmad, N; ... Zaidi, M; + view all (2020) Repurposing erectile dysfunction drugs tadalafil and vardenafil to increase bone mass. Proceedings of the National Academy of Sciences (PNAS) , 117 (25) pp. 14386-14394. 10.1073/pnas.2000950117. Green open access
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Krauss, IR; Ramaswamy, S; Neidle, S; Haider, S; Parkinson, GN; (2016) Structural Insights into the Quadruplex-Duplex 3 ' Interface Formed from a Telomeric Repeat: A Potential Molecular Target. Journal of the American Chemical Society , 138 (4) pp. 1226-1233. 10.1021/jacs.5b10492. Green open access
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Kundishora, Adam J; Allington, Garrett; McGee, Stephen; Mekbib, Kedous Y; Gainullin, Vladimir; Timberlake, Andrew T; Nelson-Williams, Carol; ... Kahle, Kristopher T; + view all (2023) Multiomic analyses implicate a neurodevelopmental program in the pathogenesis of cerebral arachnoid cysts. Nature Medicine , 29 pp. 667-678. 10.1038/s41591-023-02238-2. Green open access
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Kundishora, AJ; Peters, ST; Pinard, A; Duran, D; Panchagnula, S; Barak, T; Miyagishima, DF; ... Kahle, KT; + view all (2021) DIAPH1 Variants in Non-East Asian Patients With Sporadic Moyamoya Disease. JAMA Neurology , 78 (8) pp. 993-1003. 10.1001/jamaneurol.2021.1681.

Küry, S; Zhang, J; Besnard, T; Caro-Llopis, A; Zeng, X; Robert, SM; Josiah, SS; ... Isidor, B; + view all (2022) Rare pathogenic variants in WNK3 cause X-linked intellectual disability. Genetics in Medicine , 24 (9) pp. 1941-1951. 10.1016/j.gim.2022.05.009. Green open access
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Lanphere, Conor; Ciccone, Jonah; Dorey, Adam; Hagleitner-Ertuğrul, Nora; Knyazev, Denis; Haider, Shozeb; Howorka, Stefan; (2022) Triggered Assembly of a DNA-Based Membrane Channel. Journal of the American Chemical Society , 144 (10) pp. 4333-4344. 10.1021/jacs.1c06598. Green open access
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Liu, P; Ji, Y; Yuen, T; Rendina-Ruedy, E; DeMambro, VE; Dhawan, S; Abu-Amer, W; ... Zaidi, M; + view all (2017) Blocking FSH induces thermogenic adipose tissue and reduces body fat. Nature , 546 (7656) pp. 107-112. 10.1038/nature22342. Green open access
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Ma, Shumeng; Damfo, Shymaa; Lou, Jiaqi; Pinotsis, Nikos; Bowler, Matthew W; Haider, Shozeb; Kozielski, Frank; (2022) Two Ligand-Binding Sites on SARS-CoV-2 Non-Structural Protein 1 Revealed by Fragment-Based X-ray Screening. International Journal of Molecular Sciences , 23 (20) p. 12448. 10.3390/ijms232012448. Green open access
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Mack, Andrew R; Kumar, Vijay; Taracila, Magdalena A; Mojica, Maria F; O'Shea, Margaret; Schinabeck, William; Silver, Galen; ... Bonomo, Robert A; + view all (2023) Natural protein engineering in the Ω-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas-derived cephalosporinase. Antimicrobial Agents and Chemotherapy , 67 (11) , Article e00791-23. 10.1128/aac.00791-23. Green open access
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Mack, AR; Barnes, MD; Taracila, MA; Hujer, AM; Hujer, KM; Cabot, G; Feldgarden, M; ... Bonomo, RA; + view all (2019) A standard numbering scheme for class C β-lactamases. Antimicrobial Agents and Chemotherapy 10.1128/AAC.01841-19. (In press). Green open access
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Majkut, J; Sgobba, M; Holohan, C; Crawford, N; Logan, AE; Kerr, E; Higgins, CA; ... Longley, DB; + view all (2014) Differential affinity of FLIP and procaspase 8 for FADD's DED binding surfaces regulates DISC assembly. Nature Communications , 5 , Article 3350. 10.1038/ncomms4350. Green open access
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Manchester, KR; Waters, L; Haider, S; Maskell, PD; (2022) The blood-to-plasma ratio and predicted GABA<inf>A</inf>-binding affinity of designer benzodiazepines. Forensic Toxicology 10.1007/s11419-022-00616-y. Green open access
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Marchetti, C; Zyner, KG; Ohnmacht, SA; Robson, M; Haider, SM; Morton, JP; Marsico, G; ... Neidle, S; + view all (2018) Targeting Multiple Effector Pathways in Pancreatic Ductal Adenocarcinoma with a G-Quadruplex-Binding Small Molecule. Journal of Medicinal Chemistry , 61 (6) pp. 2500-2517. 10.1021/acs.jmedchem.7b01781. Green open access
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Moore, BJR; Islam, B; Ward, S; Jackson, O; Armitage, R; Blackburn, J; Haider, S; (2019) Repurposing of Tranilast for Potential Neuropathic Pain Treatment by Inhibition of Sepiapterin Reductase in the BH₄ Pathway. ACS Omega , 4 (7) pp. 11960-11972. 10.1021/acsomega.9b01228. Green open access
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Najar, Fares Z; Linde, Evan; Murphy, Chelsea L; Borin, Veniamin A; Wang, Haun; Haider, Shozeb; Agarwal, Pratul K; (2023) Future COVID19 surges prediction based on SARS-CoV-2 mutations surveillance. eLife , 12 , Article e82980. 10.7554/eLife.82980. Green open access
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Noureini, SK; Esmaeili, H; Abachi, F; Khiali, S; Islam, B; Kuta, M; Saboury, AA; ... Haider, S; + view all (2017) Selectivity of major isoquinoline alkaloids from Chelidonium majus towards telomeric G-quadruplex: A study using a transition-FRET (t-FRET) assay. Biochimica et Biophysica Acta (BBA) - General Subjects , 1861 (8) pp. 2020-2030. 10.1016/j.bbagen.2017.05.002. Green open access
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Nowak-Karnowska, Joanna; Taras-Goslinska, Katarzyna; Haider, Shozeb; Skalski, Bohdan; (2024) Intrastrand Photo-Crosslinking of 5-Fluoro-2′-O-methyl-4-thiouridine-Modified Oligonucleotides and Its Implication for Fluorescence-Based Detection of DNA Sequences. The Journal of Organic Chemistry , 89 (23) pp. 17155-17162. 10.1021/acs.joc.4c01597. Green open access
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Nwasike, C; Ewert, S; Jovanovic, S; Haider, S; Mujtaba, S; (2016) SET domain-mediated lysine methylation in lower organisms regulates growth and transcription in hosts. Annals of the New York Academy of Sciences: Special Issue - Marrow , 1376 pp. 18-28. 10.1111/nyas.13017. Green open access
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O'Connor, CM; Leonard, D; Wiredja, D; Avelar, RA; Wang, Z; Schlatzer, D; Bryson, B; ... Narla, G; + view all (2020) Inactivation of PP2A by a recurrent mutation drives resistance to MEK inhibitors. Oncogene , 39 pp. 703-717. 10.1038/s41388-019-1012-2. Green open access
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Ohnmacht, SA; Marchetti, C; Gunaratnam, M; Besser, RJ; Haider, SM; Di Vita, G; Lowe, HL; ... Neidle, S; + view all (2015) A G-quadruplex-binding compound showing anti-tumour activity in an in vivo model for pancreatic cancer. Scientific Reports , 5 , Article 11385. 10.1038/srep11385. Green open access
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Olehnovics, E; Yin, J; Perez, A; De Fabritiis, G; Bonomo, RA; Bhowmik, D; Haider, S; (2021) The Role of Hydrophobic Nodes in the Dynamics of Class A beta-Lactamases. Frontiers in Microbiology , 12 , Article 720991. 10.3389/fmicb.2021.720991. Green open access
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Oliveira, ASF; Ciccotti, G; Haider, S; Mulholland, AJ; (2021) Dynamical nonequilibrium molecular dynamics reveals the structural basis for allostery and signal propagation in biomolecular systems. European Physical Journal B , 94 , Article 144. 10.1140/epjb/s10051-021-00157-0. Green open access
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Parwana, Diksha; Gu, Jing; Chen, Shuang; Bethel, Christopher R; Marshall, Emma; Hujer, Andrea M; Bonomo, Robert A; (2024) The Structural Role of N170 in Substrate-Assisted Deacylation in KPC-2 β-Lactamase. Angewandte Chemie International Edition , Article e202317315. 10.1002/anie.202317315. (In press). Green open access
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Patel, S; Volpe, AB; Awwad, S; Schätzlein, AG; Haider, S; Liu, B; Uchegbu, IF; (2020) A Self-Assembling Lipidic Peptide and Selective Partial V2 Receptor Agonist Inhibits Urine Production. Scientific Reports , 10 , Article 7269. 10.1038/s41598-020-64070-9. Green open access
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Petrache, AL; Khan, AA; Nicholson, MW; Monaco, A; Kuta-Siejkowska, M; Haider, S; Hilton, S; ... Ali, A; + view all (2020) Selective Modulation of α5 GABAA Receptors Exacerbates Aberrant Inhibition at Key Hippocampal Neuronal Circuits in APP Mouse Model of Alzheimer’s Disease. Frontiers in Cellular Neuroscience , 14 , Article 568194. 10.3389/fncel.2020.568194. Green open access
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Pinard, Amélie; Ye, Wenlei; Fraser, Stuart M; Rosenfeld, Jill A; Pichurin, Pavel; Hickey, Scott E; Guo, Dongchuan; ... Milewicz, Dianna M; + view all (2023) Rare variants in ANO1, encoding a calcium-activated chloride channel, predispose to moyamoya disease. Brain , 146 (9) pp. 3616-3623. 10.1093/brain/awad172. Green open access
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Rincón, Rafael; Coira, Isabel F; Richieu, Antoine; Attana, Fedaa; Urwyler, Muriel; Haider, Shozeb; Bourquin, Carole; ... Cuendet, Muriel; + view all (2025) Selective molecular inhibition of the HDAC6 ZnF-UBP binding domain impairs multiple myeloma cell function. Cell Death Discovery , 11 , Article 176. 10.1038/s41420-025-02465-1. Green open access
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Romero, R; Ramanathan, A; Yuen, T; Bhowmik, D; Mathew, M; Munshi, LB; Javaid, S; ... Zaidi, M; + view all (2019) Mechanism of glucocerebrosidase activation and dysfunction in Gaucher disease unraveled by molecular dynamics and deep learning. Proceedings of the National Academy of Sciences , 116 (11) pp. 5086-5095. 10.1073/pnas.1818411116. Green open access
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Rubin, .; Moin, Syed Tarique; Haider, Shozeb; (2024) Identification of a Cryptic Pocket in Methionine Aminopeptidase-II Using Adaptive Bandit Molecular Dynamics Simulations and Markov State Models. ACS Omega , 9 (26) pp. 28534-28545. 10.1021/acsomega.4c02516. Green open access
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Sangodkar, J; Perl, A; Tohme, R; Kiselar, J; Kastrinsky, DB; Zaware, N; Izadmehr, S; ... Narla, G; + view all (2017) Activation of tumor suppressor protein PP2A inhibits KRAS-driven tumor growth. Journal of Clinical Investigation , 127 (6) pp. 2081-2090. 10.1172/JCI89548. Green open access
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Sant, Damini; Rojekar, Satish; Gera, Sakshi; Pallapati, Anusha R; Gimenez-Roig, Judit; Kuo, Tan-Chun; Padilla, Ashley; ... Zaidi, Mone; + view all (2023) Optimizing a therapeutic humanized follicle-stimulating hormone-blocking antibody formulation by protein thermal shift assay. Annals of the New York Academy of Sciences , 1521 (1) pp. 67-78. 10.1111/nyas.14952. Green open access
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Shi, Qiu-Yun; Li, Teng; Xiang, Hao; Wu, Yang; Yuan, Shu; Yuan, Ming; Haider, Shozeb; (2025) Cysteine Alleviates the Toxicity of Cadmium Telluride Quantum Dots (CdTe QDs) by Modulating the Antioxidant System and Root Metabolic Pathways in Rice. Physiologia Plantarum , 177 (5) , Article e70493. 10.1111/ppl.70493.

Singh, Amrita K; Allington, Garrett; Viviano, Stephen; McGee, Stephen; Kiziltug, Emre; Ma, Shaojie; Zhao, Shujuan; ... Kahle, Kristopher T; + view all (2024) A novel SMARCC1 BAFopathy implicates neural progenitor epigenetic dysregulation in human hydrocephalus. Brain , 147 (4) pp. 1553-1570. 10.1093/brain/awad405. Green open access
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Soumyanarayanan, U; Ramanujulu, PM; Mustafa, N; Haider, S; Fang Nee, AH; Tong, JX; Tan, KSW; ... Dymock, BW; + view all (2019) Discovery of a potent histone deacetylase (HDAC) 3/6 selective dual inhibitor. European Journal of Medicinal Chemistry , 184 , Article 111755. 10.1016/j.ejmech.2019.111755. Green open access
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Šponer, J; Bussi, G; Stadlbauer, P; Kührová, P; Banáš, P; Islam, B; Haider, S; ... Otyepka, M; + view all (2017) Folding of guanine quadruplex molecules-funnel-like mechanism or kinetic partitioning? An overview from MD simulation studies. Biochimica et Biophysica Acta (BBA) - General Subjects , 1861 (5 Part B) pp. 1246-1263. 10.1016/j.bbagen.2016.12.008. Green open access
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Taylor, SE; O'Connor, CM; Wang, Z; Shen, G; Song, H; Leonard, D; Sangodkar, J; ... Narla, G; + view all (2019) The highly recurrent PP2A Aα-subunit mutation P179R alters protein structure and impairs PP2A enzyme function to promote endometrial tumorigenesis. Cancer Research , 79 (16) pp. 4242-4257. 10.1158/0008-5472.CAN-19-0218. Green open access
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Timberlake, AT; Jin, SC; Nelson-Williams, C; Wu, R; Furey, CG; Islam, B; Haider, S; ... Lifton, RP; + view all (2019) Mutations in TFAP2B and previously unimplicated genes of the BMP, Wnt, and Hedgehog pathways in syndromic craniosynostosis. Proceedings of the National Academy of Sciences of the United States of America , 116 (30) pp. 15116-15121. 10.1073/pnas.1902041116. Green open access
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Todd, AK; Haider, SM; Parkinson, GN; Neidle, S; (2007) Sequence occurrence and structural uniqueness of a G-quadruplex in the human c-kit promoter. Nucleic Acids Res , 35 (17) 5799 - 5808. 10.1093/nar/gkm609. Green open access
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Virgilio, A; Amato, T; Petraccone, L; Esposito, F; Grandi, N; Tramontano, E; Romero, R; ... Galeone, A; + view all (2018) Improvement of the activity of the anti-HIV-1 integrase aptamer T30175 by introducing a modified thymidine into the loops. Scientific Reports , 8 , Article 7447. 10.1038/s41598-018-25720-1. Green open access
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Wang, H; Rizvi, SRA; Dong, D; Lou, J; Wang, Q; Sopipong, W; Su, Y; ... Haider, S; + view all (2023) Emerging variants of SARS-CoV-2 NSP10 highlight strong functional conservation of its binding to two non-structural proteins, NSP14 and NSP16. eLife , 12 10.7554/eLife.87884.1. (In press). Green open access
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Wang, Huan; Rizvi, Syed RA; Dong, Danni; Lou, Jiaqi; Wang, Qian; Sopipong, Watanyoo; Su, Yufeng; ... Haider, Shozeb; + view all (2023) Emerging variants of SARS-CoV-2 NSP10 highlight strong functional conservation of its binding to two non-structural proteins, NSP14 and NSP16. eLife , 12 , Article RP87884. 10.7554/eLife.87884.3. Green open access
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Waters, L; Manchester, KR; Maskell, PD; Haegeman, C; Haider, S; (2018) The use of a quantitative structure-activity relationship (QSAR) model to predict GABA-A receptor binding of newly emerging benzodiazepines. Science & Justice , 58 (3) pp. 219-225. 10.1016/j.scijus.2017.12.004. Green open access
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Welker Leng, KR; Castañeda, CA; Decroos, C; Islam, B; Haider, SM; Christianson, DW; Fierke, CA; (2019) Phosphorylation of Histone Deacetylase 8: Structural and Mechanistic Analysis of the Phosphomimetic S39E Mutant. Biochemistry , 58 (45) pp. 4480-4493. 10.1021/acs.biochem.9b00653. Green open access
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Xu, Manming; Dantu, Sarath Chandra; Garnett, James A; Bonomo, Robert A; Pandini, Alessandro; Haider, Shozeb; (2025) Functionally important residues from graph analysis of coevolved dynamic couplings. eLife , 14 , Article RP105005. 10.7554/elife.105005.3. Green open access
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Yaseen, Z; Aswal, VK; Zhou, X; Kabir-ud-Din, .; Haider, S; (2018) Morphological changes in human serum albumin in presence of cationic amphiphilic drugs. New Journal of Chemistry , 42 (3) pp. 2270-2277. 10.1039/C7NJ02591B. Green open access
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Yau, M; Al Azkawi, HS; Haider, S; Khattab, A; Al Badi, M; Abdullah, W; Al Senani, A; ... New, MI; + view all (2016) A novel mutation in HSD11B2 causes apparent mineralocorticoid excess in an Omani kindred. Annals of the New York Academy of Sciences , 1376 pp. 65-71. 10.1111/nyas.13162. Green open access
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Yau, M; Haider, S; Khattab, A; Ling, C; Mathew, M; Zaidi, S; Bloch, M; ... New, MI; + view all (2017) Clinical, genetic, and structural basis of apparent mineralocorticoid excess due to 11β-hydroxysteroid dehydrogenase type 2 deficiency. Proceedings of the National Academy of Sciences of the United States of America , 114 (52) E11248-E11256. 10.1073/pnas.1716621115. Green open access
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Zaidi, M; Lizneva, D; Gera, S; Taneja, C; Korkmaz, F; Gumerova, A; Ievleva, K; ... Yuen, T; + view all (2020) Beyond bone biology: Lessons from team science. Journal of Orthopaedic Research , 38 (11) pp. 2331-2338. 10.1002/jor.24771. Green open access
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Zaidi, N; Soban, M; Chen, F; Kinkead, H; Mathew, J; Yarchoan, M; Armstrong, TD; ... Jaffee, EM; + view all (2020) Role of in silico structural modeling in predicting immunogenic neoepitopes for cancer vaccine development. JCI Insight , 5 (17) , Article e136991. 10.1172/jci.insight.136991. Green open access
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Zhai, Q; Gao, C; Ding, J; Zhang, Y; Islam, B; Lan, W; Hou, H; ... Wei, D; + view all (2019) Selective recognition of c-MYC Pu22 G-quadruplex by a fluorescent probe. Nucleic Acids Research , 47 (5) pp. 2190-2204. 10.1093/nar/gkz059. Green open access
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Zhai, T; Zhang, F; Haider, S; Kraut, D; Huang, Z; (2021) An Integrated Computational and Experimental Approach to Identifying Inhibitors for SARS-CoV-2 3CL Protease. Frontiers in Molecular Biosciences , 8 , Article 661424. 10.3389/fmolb.2021.661424. Green open access
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Zhang, DY; Yue, JB; Wu, N; Wu, Y; Zhang, HY; Yuan, S; Yuan, M; ... Chen, YE; + view all (2025) Physiological, biochemical, and transcriptomic analyses unveil the mechanisms of melatonin in improving wheat stripe rust resistance. Plant Science , 359 , Article 112617. 10.1016/j.plantsci.2025.112617.

Zhang, Y; Bux, K; Attana, F; Wei, D; Haider, S; Parkinson, GN; (2024) Structural descriptions of ligand interactions to RNA quadruplexes folded from the non-coding region of pseudorabies virus. Biochimie , 227 (A) pp. 28-36. 10.1016/j.biochi.2024.06.003. Green open access
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Zhang, F; Zhai, T; Haider, S; Liu, Y; Huang, ZJ; (2020) Synergistic Effect of Chlorogenic Acid and Caffeic Acid with Fosfomycin on Growth Inhibition of a Resistant Listeria monocytogenes Strain. ACS Omega , 5 (13) pp. 7537-7544. 10.1021/acsomega.0c00352. Green open access
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Zhang, Y; El Omari, K; Duman, R; Liu, S; Haider, S; Wagner, A; Parkinson, GN; (2020) Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths. Nucleic Acids Research 10.1093/nar/gkaa439. (In press). Green open access
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Zhao, Zhuoran; Shen, Xiayu; Chen, Shuang; Gu, Jing; Wang, Haun; Mojica, Maria F; Samanta, Moumita; ... Haider, Shozeb; + view all (2023) Gating interactions steer loop conformational changes in the active site of the L1 metallo-β-lactamase. eLife , 12 , Article e83928. 10.7554/eLife.83928. Green open access
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Zhou, J; Stapleton, P; Haider, S; Healy, J; (2018) Boronic acid inhibitors of the class A beta-lactamase KPC-2. Bioorganic & Medicinal Chemistry , 26 (11) pp. 2921-2927. 10.1016/j.bmc.2018.04.05c. Green open access
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Zhu, Yu; Gu, Jing; Zhao, Zhuoran; Chan, AW Edith; Mojica, Maria F; Hujer, Andrea M; Bonomo, Robert A; (2024) Deciphering the Coevolutionary Dynamics of L2 β-Lactamases via Deep Learning. Journal of Chemical Information and Modeling 10.1021/acs.jcim.4c00189. (In press). Green open access
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Working / discussion paper

Haldar, Susanta; Zhang, Yashu; Xia, Ying; Islam, Barira; Liu, Sisi; Gervasio, Francesco L; Mulholland, Adrian J; ... Haider, Shozeb; + view all (2021) Ligand-induced unfolding mechanism of an RNA G-quadruplex. BioRxiv: Cold Spring Harbor, NY, USA. Green open access
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This list was generated on Sun Jan 11 09:56:28 2026 GMT.