Iain Moal
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Updates to the integrated protein–protein interaction benchmarks: docking benchmark version 5 and affinity benchmark version 2
T Vreven, IH Moal, A Vangone, BG Pierce, PL Kastritis, M Torchala, ...
Journal of molecular biology 427 (19), 3031-3041, 2015
A structure‐based benchmark for protein–protein binding affinity
PL Kastritis, IH Moal, H Hwang, Z Weng, PA Bates, AMJJ Bonvin, J Janin
Protein Science 20 (3), 482-491, 2011
SwarmDock: a server for flexible protein–protein docking
M Torchala, IH Moal, RAG Chaleil, J Fernandez-Recio, PA Bates
Bioinformatics 29 (6), 807-809, 2013
SKEMPI: a structural kinetic and energetic database of mutant protein interactions and its use in empirical models
IH Moal, J Fernández-Recio
Bioinformatics 28 (20), 2600-2607, 2012
SKEMPI 2.0: an updated benchmark of changes in protein–protein binding energy, kinetics and thermodynamics upon mutation
J Jankauskaitė, B Jiménez-García, J Dapkūnas, J Fernández-Recio, ...
Bioinformatics 35 (3), 462-469, 2019
SwarmDock and the use of normal modes in protein-protein docking
IH Moal, PA Bates
International journal of molecular sciences 11 (10), 3623-3648, 2010
Prediction of homoprotein and heteroprotein complexes by protein docking and template‐based modeling: a CASP‐CAPRI experiment
MF Lensink, S Velankar, A Kryshtafovych, SY Huang, ...
Proteins: Structure, Function, and Bioinformatics 84, 323-348, 2016
Community-wide assessment of protein-interface modeling suggests improvements to design methodology
SJ Fleishman, TA Whitehead, EM Strauch, JE Corn, S Qin, HX Zhou, ...
Journal of Molecular Biology, 2011
Protein–protein binding affinity prediction on a diverse set of structures
IH Moal, R Agius, PA Bates
Bioinformatics 27 (21), 3002-3009, 2011
Blind prediction of homo‐and hetero‐protein complexes: The CASP13‐CAPRI experiment
MF Lensink, G Brysbaert, N Nadzirin, S Velankar, RAG Chaleil, T Gerguri, ...
Proteins: Structure, Function, and Bioinformatics 87 (12), 1200-1221, 2019
The scoring of poses in protein-protein docking: current capabilities and future directions
IH Moal, M Torchala, PA Bates, J Fernández-Recio
BMC bioinformatics 14, 1-15, 2013
Community‐wide evaluation of methods for predicting the effect of mutations on protein–protein interactions
R Moretti, SJ Fleishman, R Agius, M Torchala, PA Bates, PL Kastritis, ...
Proteins: Structure, Function, and Bioinformatics 81 (11), 1980-1987, 2013
Scoring functions for protein–protein interactions
IH Moal, R Moretti, D Baker, J Fernández-Recio
Current opinion in structural biology 23 (6), 862-867, 2013
AbLang: an antibody language model for completing antibody sequences
TH Olsen, IH Moal, CM Deane
Bioinformatics Advances 2 (1), vbac046, 2022
An expanded benchmark for antibody-antigen docking and affinity prediction reveals insights into antibody recognition determinants
JD Guest, T Vreven, J Zhou, I Moal, JR Jeliazkov, JJ Gray, Z Weng, ...
Structure 29 (6), 606-621. e5, 2021
Detection and refinement of encounter complexes for protein–protein docking: taking account of macromolecular crowding
X Li, IH Moal, PA Bates
Proteins: Structure, Function, and Bioinformatics 78 (15), 3189-3196, 2010
CCharPPI web server: computational characterization of protein–protein interactions from structure
IH Moal, B Jiménez-García, J Fernández-Recio
Bioinformatics 31 (1), 123-125, 2015
Kinetic rate constant prediction supports the conformational selection mechanism of protein binding
IH Moal, PA Bates
PLoS computational biology 8 (1), e1002351, 2012
Blind prediction of interfacial water positions in CAPRI
MF Lensink, IH Moal, PA Bates, PL Kastritis, ASJ Melquiond, E Karaca, ...
Proteins: Structure, Function, and Bioinformatics 82 (4), 620-632, 2014
Intermolecular contact potentials for protein–protein interactions extracted from binding free energy changes upon mutation
IH Moal, J Fernandez-Recio
Journal of Chemical Theory and Computation 9 (8), 3715-3727, 2013
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