Author details

Full Name

Iain H Moal

Affiliation

GSK Medicines Research Centre

ORCID

Career Start Year

2007

Papers

H Index

Expertise

CM4AI Collaborator

Andrej Sali (CM4AI)

PMID	Paper Title	Journal Title	Published Year
36370083	Paragraph-antibody paratope prediction using graph neural networks with minimal feature vectors.	Bioinformatics	2023
36370083	Paragraph-antibody paratope prediction using graph neural networks with minimal feature vectors.	Bioinformatics	2023
37463925	KA-Search, a method for rapid and exhaustive sequence identity search of known antibodies.	Sci Rep	2023
37463925	KA-Search, a method for rapid and exhaustive sequence identity search of known antibodies.	Sci Rep	2023
36699403	AbLang: an antibody language model for completing antibody sequences.	Bioinform Adv	2022
36699403	AbLang: an antibody language model for completing antibody sequences.	Bioinform Adv	2022
33539768	An expanded benchmark for antibody-antigen docking and affinity prediction reveals insights into antibody recognition determinants.	Structure	2021
33539768	An expanded benchmark for antibody-antigen docking and affinity prediction reveals insights into antibody recognition determinants.	Structure	2021
32621226	A Guide for Protein-Protein Docking Using SwarmDock.	Methods Mol Biol	2020
32621226	A Guide for Protein-Protein Docking Using SwarmDock.	Methods Mol Biol	2020
31114882	Modeling Structural Constraints on Protein Evolution via Side-Chain Conformational States.	Mol Biol Evol	2019
31612567	Blind prediction of homo- and hetero-protein complexes: The CASP13-CAPRI experiment.	Proteins	2019
30020414	SKEMPI 2.0: an updated benchmark of changes in protein-protein binding energy, kinetics and thermodynamics upon mutation.	Bioinformatics	2019
31114882	Modeling Structural Constraints on Protein Evolution via Side-Chain Conformational States.	Mol Biol Evol	2019
30020414	SKEMPI 2.0: an updated benchmark of changes in protein-protein binding energy, kinetics and thermodynamics upon mutation.	Bioinformatics	2019
31612567	Blind prediction of homo- and hetero-protein complexes: The CASP13-CAPRI experiment.	Proteins	2019
29605931	Flexible Protein-Protein Docking with SwarmDock.	Methods Mol Biol	2018
29605931	Flexible Protein-Protein Docking with SwarmDock.	Methods Mol Biol	2018
27701776	pyDock scoring for the new modeling challenges in docking: Protein-peptide, homo-multimers, and domain-domain interactions.	Proteins	2017
28342242	A systematic analysis of scoring functions in rigid-body protein docking: The delicate balance between the predictive rate improvement and the risk of overtraining.	Proteins	2017
27701776	pyDock scoring for the new modeling challenges in docking: Protein-peptide, homo-multimers, and domain-domain interactions.	Proteins	2017
27935158	A machine learning approach for ranking clusters of docked protein-protein complexes by pairwise cluster comparison.	Proteins	2017
28230364	Modeling Protein Conformational Transition Pathways Using Collective Motions and the LASSO Method.	J Chem Theory Comput	2017
28200016	IRaPPA: information retrieval based integration of biophysical models for protein assembly selection.	Bioinformatics	2017
28200016	IRaPPA: information retrieval based integration of biophysical models for protein assembly selection.	Bioinformatics	2017
28230364	Modeling Protein Conformational Transition Pathways Using Collective Motions and the LASSO Method.	J Chem Theory Comput	2017
28342242	A systematic analysis of scoring functions in rigid-body protein docking: The delicate balance between the predictive rate improvement and the risk of overtraining.	Proteins	2017
27935158	A machine learning approach for ranking clusters of docked protein-protein complexes by pairwise cluster comparison.	Proteins	2017
27122118	Prediction of homoprotein and heteroprotein complexes by protein docking and template-based modeling: A CASP-CAPRI experiment.	Proteins	2016
27122118	Prediction of homoprotein and heteroprotein complexes by protein docking and template-based modeling: A CASP-CAPRI experiment.	Proteins	2016
25183488	CCharPPI web server: computational characterization of protein-protein interactions from structure.	Bioinformatics	2015
25586563	Inferring the microscopic surface energy of protein-protein interfaces from mutation data.	Proteins	2015
25354037	The structural basis for enhancer-dependent assembly and activation of the AAA transcriptional activator NorR.	Mol Microbiol	2015
25381451	Comment on 'protein-protein binding affinity prediction from amino acid sequence'.	Bioinformatics	2015
26231283	Updates to the Integrated Protein-Protein Interaction Benchmarks: Docking Benchmark Version 5 and Affinity Benchmark Version 2.	J Mol Biol	2015
25183488	CCharPPI web server: computational characterization of protein-protein interactions from structure.	Bioinformatics	2015
26231283	Updates to the Integrated Protein-Protein Interaction Benchmarks: Docking Benchmark Version 5 and Affinity Benchmark Version 2.	J Mol Biol	2015
25586563	Inferring the microscopic surface energy of protein-protein interfaces from mutation data.	Proteins	2015
25381451	Comment on 'protein-protein binding affinity prediction from amino acid sequence'.	Bioinformatics	2015
25354037	The structural basis for enhancer-dependent assembly and activation of the AAA transcriptional activator NorR.	Mol Microbiol	2015
24155158	Blind prediction of interfacial water positions in CAPRI.	Proteins	2014
24155158	Blind prediction of interfacial water positions in CAPRI.	Proteins	2014
25108785	Prediction of Kunitz ion channel effectors and protease inhibitors from the Ixodes ricinus sialome.	Ticks Tick Borne Dis	2014
25108785	Prediction of Kunitz ion channel effectors and protease inhibitors from the Ixodes ricinus sialome.	Ticks Tick Borne Dis	2014
23343604	SwarmDock: a server for flexible protein-protein docking.	Bioinformatics	2013
26584123	Intermolecular Contact Potentials for Protein-Protein Interactions Extracted from Binding Free Energy Changes upon Mutation.	J Chem Theory Comput	2013
24079540	The scoring of poses in protein-protein docking: current capabilities and future directions.	BMC Bioinformatics	2013
24039569	Characterizing changes in the rate of protein-protein dissociation upon interface mutation using hotspot energy and organization.	PLoS Comput Biol	2013
23900714	A Markov-chain model description of binding funnels to enhance the ranking of docked solutions.	Proteins	2013
23934865	Expanding the frontiers of protein-protein modeling: from docking and scoring to binding affinity predictions and other challenges.	Proteins	2013

1 - 50 of 78

Neeladri Sen

Institute of Structural and Molecular Biology, University College London

Career Start Year 2017

Number of shared co-authors 4

Sanjana Nair

Leibniz-Institut fur Virologie (LIV)

Career Start Year 2017

Number of shared co-authors 0

Rosalba Lepore

Basel University Hospital and University of Basel

Career Start Year 2011

Number of shared co-authors 4

Lucy J Colwell

Google Research

Career Start Year 2009

Number of shared co-authors 1

Guillaume Launay

CNRS UMR 5086 and Universite Claude Bernard Lyon 1

Career Start Year 2007

Number of shared co-authors 3

Juergen Haas

University of Basel

Career Start Year 2007

Number of shared co-authors 4

Jaume Bonet

Institute of Bioengineering, Ecole Polytechnique Federale de Lausanne

Career Start Year 2006

Number of shared co-authors 9

Jacob D Durrant

University of Pittsburgh

Career Start Year 2006

Number of shared co-authors 0

Yang Zhang

University of Michigan ann arbor

Career Start Year 2002

Number of shared co-authors 14

Rommie E Amaro

University of California

Career Start Year 2001

Number of shared co-authors 4

Matthew P Jacobson

Department of Pharmaceutical Chemistry, University of California san francisco

Career Start Year 1999

Number of shared co-authors 9

Torsten Schwede

University of Basel

Career Start Year 1999

Number of shared co-authors 22

Peter W Rose

University of California

Career Start Year 1999

Number of shared co-authors 5

Heather A Carlson

University of Michigan ann arbor

Career Start Year 1999

Number of shared co-authors 1

Nikolay V Dokholyan

Pennsylvania State University College of Medicine

Career Start Year 1998

Number of shared co-authors 5

Mallur S Madhusudhan

Indian Institute of Science Education and Research Pune

Career Start Year 1996

Number of shared co-authors 2

Giorgio Colombo

Fondazione IRCCS Ca' Granda Ospedale Maggiore Policlinico

Career Start Year 1993

Number of shared co-authors 1

Baldo Oliva

Universitat Pompeu Fabra

Career Start Year 1991

Number of shared co-authors 4

Ram Samudrala

Jacobs School of Medicine and Biomedical Sciences, University at Buffalo

Career Start Year 1990

Number of shared co-authors 2

Roland L Dunbrack

Fox Chase Cancer Center

Career Start Year 1989

Number of shared co-authors 27

Herman W T van Vlijmen

Leiden Academic Centre for Drug Research (LACDR), Leiden University

Career Start Year 1988

Number of shared co-authors 1

Gerhard Klebe

Institut fur Pharmazeutische Chemie, Philipps-Universitat Marburg

Career Start Year 1988

Number of shared co-authors 3

Michael K Gilson

University of California

Career Start Year 1985

Number of shared co-authors 2

Ruben Abagyan

Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California

Career Start Year 1981

Number of shared co-authors 3

Ruth Nussinov

Sackler School of Medicine, Tel Aviv University

Career Start Year 1980

Number of shared co-authors 13

Michael J E Sternberg

Imperial College London

Career Start Year 1976

Number of shared co-authors 11

John Moult

Institute for Bioscience and Biotechnology Research

Career Start Year 1970

Number of shared co-authors 9

Michael Levitt

Stanford University

Career Start Year 1969

Number of shared co-authors 13

Andras Fiser

Albert Einstein College of Medicine

Career Start Year 1968

Number of shared co-authors 7

Jens Meiler

Vanderbilt University

Career Start Year 1954

Number of shared co-authors 10

row(s) 1 - 30 of 30

Juan Fern??ndez-Recio

Instituto de Ciencias de la Vid y del Vino (ICVV-CSIC)

Co-authored papers 20

Paul A Bates

The Francis Crick Institute

Co-authored papers 20

Brian Jim??nez-Garc??a

Utrecht University

Co-authored papers 10

Zhiping Weng

University of Massachusetts Medical School

Co-authored papers 9

Mieczyslaw Torchala

University of Gdansk

Co-authored papers 9

Thom Vreven

Visterra Inc.

Co-authored papers 8

Raphael A G Chaleil

Francis Crick Institute

Co-authored papers 8

Brian G Pierce

University of Maryland Institute for Bioscience and Biotechnology Research

Co-authored papers 7

Alexandre M J J Bonvin

Bijvoet Center for Biomolecular Research, Utrecht University

Co-authored papers 7

Panagiotis L Kastritis

Interdisciplinary Research Center HALOmem, Martin Luther University Halle-Wittenberg

Co-authored papers 6

Shoshana J Wodak

VIB-VUB Center for Structural Biology

Co-authored papers 5

Jeffrey J Gray

Johns Hopkins University

Co-authored papers 5

Chaok Seok

Seoul National University

Co-authored papers 5

Miguel Romero-Durana

Pontificia Universidad Javeriana

Co-authored papers 5

Chiara Pallara

Co-authored papers 5

Sheng-You Huang

Huazhong University of Science and Technology

Co-authored papers 5

Xiaoqin Zou

Dalton Cardiovascular Research Center, University of Missouri

Co-authored papers 5

Daisuke Kihara

Purdue University

Co-authored papers 4

Sergei Grudinin

University Grenoble Alpes, CNRS

Co-authored papers 4

Dima Kozakov

Stony Brook University

Co-authored papers 4

Sandor Vajda

Boston University

Co-authored papers 4

Howook Hwang

Co-authored papers 4

Sanbo Qin

University of Illinois at Chicago

Co-authored papers 4

Hasup Lee

Seoul National University

Co-authored papers 4

Rudi Agius

Co-authored papers 4

Huan-Xiang Zhou

University of Illinois Chicago

Co-authored papers 4

Petras J Kundrotas

The University of Kansas

Co-authored papers 3

Julie C Mitchell

Co-authored papers 3

Dmitri Beglov

Boston University

Co-authored papers 3

1 - 30

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