Browse by UCL people
Group by: Type | Date
Number of items: 8.
Article
Bhati, Agastya P;
Hoti, Art;
Potterton, Andrew;
Bieniek, Mateusz K;
Coveney, Peter V;
(2023)
Long Time Scale Ensemble Methods in Molecular Dynamics: Ligand–Protein Interactions and Allostery in SARS-CoV-2 Targets.
Journal of Chemical Theory and Computation
10.1021/acs.jctc.3c00020.
(In press).
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Patani, H;
Bunney, TD;
Thiyagarajan, N;
Norman, RA;
Ogg, D;
Breed, J;
Ashford, P;
... Katan, M; + view all
(2016)
Landscape of activating cancer mutations in FGFR kinases and their differential responses to inhibitors in clinical use.
Oncotarget
, 7
(17)
pp. 24252-24268.
10.18632/oncotarget.8132.
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Potterton, A;
Heifetz, A;
Townsend-Nicholson, A;
(2022)
Predicting Residence Time of GPCR Ligands with Machine Learning.
Methods in Molecular Biology
, 2390
pp. 191-205.
10.1007/978-1-0716-1787-8_8.
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Potterton, A;
Heifetz, A;
Townsend-Nicholson, A;
(2018)
Synergistic Use of GPCR Modeling and SDM Experiments to Understand Ligand Binding.
Methods in Molecular Biology
, 1705
pp. 335-343.
10.1007/978-1-4939-7465-8_15.
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Potterton, A;
Husseini, FS;
Southey, MW;
Bodkin, MJ;
Heifetz, A;
Coveney, PV;
Townsend-Nicholson, A;
(2019)
Ensemble-Based Steered Molecular Dynamics Predicts Relative Residence Time of A2A Receptor Binders.
Journal of Chemical Theory and Computation
, 15
(5)
pp. 3316-3330.
10.1021/acs.jctc.8b01270.
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Townsend-Nicholson, A;
(2019)
Computational Prediction of GPCR Oligomerisation.
Current Opinion in Structural Biology
, 55
pp. 178-184.
10.1016/j.sbi.2019.04.005.
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Wan, S;
Potterton, A;
Husseini, FS;
Wright, DW;
Heifetz, A;
Malawski, M;
Townsend-Nicholson, A;
(2020)
Hit-to-lead and lead optimization binding free energy calculations for G protein-coupled receptors.
Interface Focus
, 10
(6)
, Article 20190128. 10.1098/rsfs.2019.0128.
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Thesis
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Potterton, Andrew Graven;
(2020)
Computational methods that predict residence times of GPCR ligands.
Doctoral thesis (Ph.D), UCL (University College London).
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