Browse by UCL people
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Number of items: 14.
Article
Cavalli, A;
Spitaleri, A;
Saladino, G;
Gervasio, FL;
(2015)
Investigating drug-target association and dissociation mechanisms using metadynamics-based algorithms.
Accounts of Chemical Research
, 48
(2)
277 - 285.
10.1021/ar500356n.
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Doro, F;
Saladino, G;
Belvisi, L;
Civera, M;
Gervasio, FL;
(2015)
New Insights into the Molecular Mechanism of E-Cadherin-Mediated Cell Adhesion by Free Energy Calculations.
Journal of Chemical Theory and Computation
, 11
, Article 4. 10.1021/ct5010164.
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Juraszek, J;
Saladino, G;
van Erp, TS;
Gervasio, FL;
(2013)
Efficient numerical reconstruction of protein folding kinetics with partial path sampling and pathlike variables.
Phys Rev Lett
, 110
(10)
, Article 108106. 10.1103/PhysRevLett.110.108106.
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Katan, M;
Perdios, P;
Lowe, AR;
Saladino, G;
Bunney, DT;
Thiyagarajan, N;
Alexandrov, Y;
... Tate, EW; + view all
(2017)
Conformational transition of FGFR kinase activation revealed by site-specific unnatural amino acid reporter and single molecule FRET.
Scientific Reports
, 7
, Article 39841. 10.1038/srep39841.
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Kuzmanic, A;
Sutto, L;
Saladino, G;
Nebreda, AR;
Gervasio, FL;
Orozco, M;
(2017)
Changes in the free-energy landscape of p38α MAP kinase through its canonical activation and binding events as studied by enhanced molecular dynamics simulations.
eLife
, 6
, Article e22175. 10.7554/eLife.22175.
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Lovera, S;
Morando, M;
Pucheta-Martinez, E;
Martinez-Torrecuadrada, JL;
Saladino, G;
Gervasio, FL;
(2015)
Towards a Molecular Understanding of the Link between Imatinib Resistance and Kinase Conformational Dynamics.
PLoS Computational Biology
, 11
(11)
, Article e1004578. 10.1371/journal.pcbi.1004578.
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Morando, MA;
Saladino, G;
D'Amelio, N;
Pucheta-Martinez, E;
Lovera, S;
Lelli, M;
López-Méndez, B;
... Gervasio, FL; + view all
(2016)
Conformational Selection and Induced Fit Mechanisms in the Binding of an Anticancer Drug to the c-Src Kinase.
Scientific Reports
, 6
p. 24439.
10.1038/srep24439.
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Oleinikovas, V;
Saladino, G;
Cossins, BP;
Gervasio, FL;
(2016)
Understanding Cryptic Pocket Formation in Protein Targets by Enhanced Sampling Simulations.
Journal of the American Chemical Society
, 138
(43)
pp. 14257-14263.
10.1021/jacs.6b05425.
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Papaleo, E;
Saladino, G;
Lambrughi, M;
Lindorff-Larsen, K;
Gervasio, FL;
Nussinov, R;
(2016)
The Role of Protein Loops and Linkers in Conformational Dynamics and Allostery.
Chemical Reviews
10.1021/acs.chemrev.5b00623.
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Pucheta-Martinez, E;
D'Amelio, N;
Lelli, M;
Martinez-Torrecuadrada, JL;
Sudol, M;
Saladino, G;
Gervasio, FL;
(2016)
Changes in the folding landscape of the WW domain provide a molecular mechanism for an inherited genetic syndrome.
Scientific Reports
, 6
(30293)
10.1038/srep30293.
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Pucheta-Martínez, E;
Saladino, G;
Morando, MA;
Martinez-Torrecuadrada, J;
Lelli, M;
Sutto, L;
D'Amelio, N;
(2016)
An Allosteric Cross-Talk Between the Activation Loop and the ATP Binding Site Regulates the Activation of Src Kinase.
Scientific Reports
, 6
, Article 24235. 10.1038/srep24235.
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Saladino, G;
Gervasio, FL;
(2016)
Modeling the effect of pathogenic mutations on the conformational landscape of protein kinases.
Current Opinion in Structural Biology
, 37
pp. 108-114.
10.1016/j.sbi.2016.01.005.
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Saleh, N;
Saladino, G;
Gervasio, FL;
Haensele, E;
Banting, L;
Whitley, DC;
Sopkova-de Oliveira Santos, J;
... Clark, T; + view all
(2016)
A Three-Site Mechanism for Agonist/Antagonist Selective Binding to Vasopressin Receptors.
Angewandte Chemie International Edition
, 55
(28)
pp. 8008-8012.
10.1002/anie.201602729.
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Schulze, JO;
Saladino, G;
Busschots, K;
Neimanis, S;
Süß, E;
Odadzic, D;
Zeuzem, S;
... Biondi, RM; + view all
(2016)
Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chemical Biology
, 23
(10)
pp. 1193-1205.
10.1016/j.chembiol.2016.06.017.
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