Author details

Full Name

Amitava Roy

Affiliation

University of Montana

ORCID

Career Start Year

2006

Papers

H Index

Expertise

CM4AI Collaborator

Andrej Sali (CM4AI)

PMID	Paper Title	Journal Title	Published Year
35559261	Drugsniffer: An Open Source Workflow for Virtually Screening Billions of Molecules for Binding Affinity to Protein Targets.	Front Pharmacol	2022
35559261	Drugsniffer: An Open Source Workflow for Virtually Screening Billions of Molecules for Binding Affinity to Protein Targets.	Front Pharmacol	2022
33180459	Accommodation of In-Register N-Linked Glycans on Prion Protein Amyloid Cores.	ACS Chem Neurosci	2020
33180459	Accommodation of In-Register N-Linked Glycans on Prion Protein Amyloid Cores.	ACS Chem Neurosci	2020
31507602	Magnesium Restores Activity to Peripheral Blood Cells in a Patient With Functionally Impaired Interleukin-2-Inducible T Cell Kinase.	Front Immunol	2019
31507602	Magnesium Restores Activity to Peripheral Blood Cells in a Patient With Functionally Impaired Interleukin-2-Inducible T Cell Kinase.	Front Immunol	2019
31271789	Severe autoinflammation in 4 patients with C-terminal variants in cell division control protein 42 homolog (CDC42) successfully treated with IL-1Î² inhibition.	J Allergy Clin Immunol	2019
31271789	Severe autoinflammation in 4 patients with C-terminal variants in cell division control protein 42 homolog (CDC42) successfully treated with IL-1Î² inhibition.	J Allergy Clin Immunol	2019
29329283	Modeling the assembly order of multimeric heteroprotein complexes.	PLoS Comput Biol	2018
30051939	Entropic allostery dominates the phosphorylation-dependent regulation of Syk tyrosine kinase release from immunoreceptor tyrosine-based activation motifs.	Protein Sci	2018
29329283	Modeling the assembly order of multimeric heteroprotein complexes.	PLoS Comput Biol	2018
30051939	Entropic allostery dominates the phosphorylation-dependent regulation of Syk tyrosine kinase release from immunoreceptor tyrosine-based activation motifs.	Protein Sci	2018
27654025	Human and server docking prediction for CAPRI round 30-35 using LZerD with combined scoring functions.	Proteins	2017
28394890	Modeling disordered protein interactions from biophysical principles.	PLoS Comput Biol	2017
28239644	HLA-DQ <b>Î²</b>1 alleles associated with Epstein-Barr virus (EBV) infectivity and EBV gp42 binding to cells.	JCI Insight	2017
27654025	Human and server docking prediction for CAPRI round 30-35 using LZerD with combined scoring functions.	Proteins	2017
28239644	HLA-DQ <b>Î²</b>1 alleles associated with Epstein-Barr virus (EBV) infectivity and EBV gp42 binding to cells.	JCI Insight	2017
28394890	Modeling disordered protein interactions from biophysical principles.	PLoS Comput Biol	2017
26189497	Evaluating the dynamics and electrostatic interactions of folded proteins in implicit solvents.	Protein Sci	2016
27122118	Prediction of homoprotein and heteroprotein complexes by protein docking and template-based modeling: A CASP-CAPRI experiment.	Proteins	2016
26189497	Evaluating the dynamics and electrostatic interactions of folded proteins in implicit solvents.	Protein Sci	2016
26675644	Analysis of Multidomain Protein Dynamics.	J Chem Theory Comput	2016
26675644	Analysis of Multidomain Protein Dynamics.	J Chem Theory Comput	2016
27122118	Prediction of homoprotein and heteroprotein complexes by protein docking and template-based modeling: A CASP-CAPRI experiment.	Proteins	2016
25061444	Relative Binding Enthalpies from Molecular Dynamics Simulations Using a Direct Method.	J Chem Theory Comput	2014
25061444	Relative Binding Enthalpies from Molecular Dynamics Simulations Using a Direct Method.	J Chem Theory Comput	2014
22440750	Long-distance correlations of rhinovirus capsid dynamics contribute to uncoating and antiviral activity.	Proc Natl Acad Sci U S A	2012
22440750	Long-distance correlations of rhinovirus capsid dynamics contribute to uncoating and antiviral activity.	Proc Natl Acad Sci U S A	2012
23610564	Detection of long-range concerted motions in protein by a distance covariance.	J Chem Theory Comput	2012
23610564	Detection of long-range concerted motions in protein by a distance covariance.	J Chem Theory Comput	2012
22096451	Microscopic Symmetry Imposed by Rotational Symmetry Boundary Conditions in Molecular Dynamics Simulation.	J Chem Theory Comput	2011
22096451	Microscopic Symmetry Imposed by Rotational Symmetry Boundary Conditions in Molecular Dynamics Simulation.	J Chem Theory Comput	2011
16972169	Ab initio computational modeling of long loops in G-protein coupled receptors.	J Comput Aided Mol Des	2006
16972169	Ab initio computational modeling of long loops in G-protein coupled receptors.	J Comput Aided Mol Des	2006

1 - 34 of 34

Ignacia Echeverria

University of California san francisco

Career Start Year 2010

Number of shared co-authors 3

Barak Raveh

The Hebrew University of Jerusalem

Career Start Year 2007

Number of shared co-authors 6

Massimiliano Bonomi

Institut Pasteur, Universite Paris Cite, CNRS UMR 8

Career Start Year 2007

Number of shared co-authors 3

James S Fraser

University of California san francisco

Career Start Year 2006

Number of shared co-authors 8

Oliver F Lange

Center for Integrated Protein Science, Technische Universitat Munchen

Career Start Year 2004

Number of shared co-authors 5

Henry van den Bedem

University of California San Francisco

Career Start Year 2002

Number of shared co-authors 1

Rommie E Amaro

University of California

Career Start Year 2001

Number of shared co-authors 3

Hao Fan

College of Biotechnology and Bioengineering, Zhejiang University of Technology

Career Start Year 2001

Number of shared co-authors 2

Manuel Rueda

The Barcelona Institute of Science and Technology

Career Start Year 2001

Number of shared co-authors 2

Matteo Dal Peraro

Institute of Bioengineering

Career Start Year 2001

Number of shared co-authors 5

David E Shaw

Columbia University

Career Start Year 2000

Number of shared co-authors 3

Matthew P Jacobson

Department of Pharmaceutical Chemistry, University of California san francisco

Career Start Year 1999

Number of shared co-authors 6

Heather A Carlson

University of Michigan ann arbor

Career Start Year 1999

Number of shared co-authors 0

Michael Feig

Michigan State University

Career Start Year 1998

Number of shared co-authors 2

Nikolay V Dokholyan

Pennsylvania State University College of Medicine

Career Start Year 1998

Number of shared co-authors 4

Ivet Bahar

Laufer Center for Physical and Quantitative Biology, Stony Brook University

Career Start Year 1994

Number of shared co-authors 1

Giorgio Colombo

Fondazione IRCCS Ca' Granda Ospedale Maggiore Policlinico

Career Start Year 1993

Number of shared co-authors 0

Carlos J Camacho

University of Pittsburgh

Career Start Year 1990

Number of shared co-authors 22

David Baker

University of Washington

Career Start Year 1988

Number of shared co-authors 43

Michael Nilges

Institut Pasteur

Career Start Year 1986

Number of shared co-authors 5

Michael K Gilson

University of California

Career Start Year 1985

Number of shared co-authors 1

Ariel Fern??ndez

University of Florida

Career Start Year 1984

Number of shared co-authors 0

Ruben Abagyan

Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California

Career Start Year 1981

Number of shared co-authors 3

Haruki Nakamura

Institute for Protein Research, Osaka University

Career Start Year 1980

Number of shared co-authors 40

Ruth Nussinov

Sackler School of Medicine, Tel Aviv University

Career Start Year 1980

Number of shared co-authors 10

David A Case

Rutgers University

Career Start Year 1977

Number of shared co-authors 3

Charles L Brooks

University of Michigan ann arbor

Career Start Year 1974

Number of shared co-authors 1

Michael Levitt

Stanford University

Career Start Year 1969

Number of shared co-authors 10

Martin Karplus

Harvard University

Career Start Year 1959

Number of shared co-authors 3

Jens Meiler

Vanderbilt University

Career Start Year 1954

Number of shared co-authors 7

row(s) 1 - 30 of 30

Lenna X Peterson

Purdue University

Co-authored papers 4

Daisuke Kihara

Purdue University

Co-authored papers 4

Genki Terashi

Co-authored papers 3

Juan Esquivel-Rodr??guez

Costa Rica Institute of Technology

Co-authored papers 3

Xusi Han

Purdue University

Co-authored papers 2

Hyungrae Kim

College of Dentistry, Dankook University.

Co-authored papers 2

Charles Christoffer

Co-authored papers 2

Woong-Hee Shin

Co-authored papers 2

Zhiping Weng

University of Massachusetts Medical School

Co-authored papers 1

Jilong Li

Qiagen Inc.

Co-authored papers 1

Keehyoung Joo

Center for Advanced Computation, Korea Institute for Advanced Study

Co-authored papers 1

Daniel J Lovell

Co-authored papers 1

Ivan Anishchenko

University of Washington

Co-authored papers 1

Petras J Kundrotas

The University of Kansas

Co-authored papers 1

Eiichiro Ichiishi

International University of Health and Welfare (IUHV Hospital)

Co-authored papers 1

Anisah W Ghoorah

University of Mauritius

Co-authored papers 1

Neil J Bruce

Heidelberg Institute for Theoretical Studies (HITS)

Co-authored papers 1

Zhiwei Ma

Dalton Cardiovascular Research Center, University of Missouri

Co-authored papers 1

Dmitri Beglov

Boston University

Co-authored papers 1

Liming Qiu

Perelman School of Medicine, University of Pennsylvania

Co-authored papers 1

Artem B Mamonov

MGH/Harvard Medical School

Co-authored papers 1

Brian Jim??nez-Garc??a

Utrecht University

Co-authored papers 1

Iain H Moal

GSK Medicines Research Centre

Co-authored papers 1

Rebecca C Wade

Center for Molecular Biology (ZMBH), Heidelberg University

Co-authored papers 1

Jooyoung Lee

Korea Institute for Advanced Study

Co-authored papers 1

Bernard Maigret

Universite de Lorraine, CNRS

Co-authored papers 1

Gydo C P van Zundert

Utrecht University

Co-authored papers 1

Li C Xue

Utrecht University

Co-authored papers 1

Xiaoqin Zou

Dalton Cardiovascular Research Center, University of Missouri

Co-authored papers 1

Ilya A Vakser

The University of Kansas

Co-authored papers 1

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