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Abir Ganguly

rutgers university system

20H-index
34Paper Count
1.0KCitation Count
Published Papers 17
Publication Date
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Expanding accessible chemical space for fragment-based enumeration by orders of magnitude through optimization of the Chemically Reasonable Mutations (CReM) framework
errJournal of Cheminformatics
IF5.7
err2026-08-01
err0
errOAAI
errShaojin Hu; Qinyu Chen; Yinhui Yi; Paul Pillot; James Xu; Evgeny Gutkin; Abir Ganguly; Albert C. Pan
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A Relative Binding Free Energy Framework for Structurally Dissimilar Molecules
errJournal of Chemical Information and Modeling
IF5.3
err2026-01-01
err0
PREAI
errTsai, Hsu-Chun; Zhang, Shi; Lee, Tai-Sung; Giese, Timothy J.; Lin, Charles; Xu, James; Yi, Yinhui; York, Darrin M.; Ganguly, Abir; Pan, Albert C.
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Improvements in Precision of Relative Binding Free Energy Calculations Afforded by the Alchemical Enhanced Sampling (ACES) Approach
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-09-03
err0
PREAI
errTsai, Hsu-Chun; Xu, James; Guo, Zhenyu; Yi, Yinhui; Tian, Chuan; Que, Xinyu; Giese, Timothy; Lee, Tai-Sung; York, Darrin M.; Ganguly, Abir; Pan, Albert
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ACES: Optimized Alchemically Enhanced Sampling
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-01-11
err29
errOAAI
errLee, Tai-Sung; Tsai, Hsu-Chun; Ganguly, Abir; York, Darrin M.
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AMBER Free Energy Tools: A New Framework for the Design of Optimized Alchemical Transformation Pathways
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-01-09
err24
PREAI
errTsai, Hsu-Chun; Lee, Tai-Sung; Ganguly, Abir; Giese, Timothy J.; Ebert, Maximilian C. C. J. C.; Labute, Paul; Merz, Kenneth M., Jr.; York, Darrin M.
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AMBER Drug Discovery Boost Tools: Automated Workflow for Production Free-Energy Simulation Setup and Analysis (ProFESSA)
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-11-30
err20
errOAAI
errGanguly, Abir; Tsai, Hsu-Chun; Fernandez-Pendas, Mario; Lee, Tai-Sung; Giese, Timothy J.; York, Darrin M.
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Introducing a New Bond-Forming Activity in an Archaeal DNA Polymerase by Structure-Guided Enzyme Redesign
errACS CHEMICAL BIOLOGY
IF3.8
err2022-07-01
err3
errOAAI
errAggarwal, Tushar; Hansen, William A.; Hong, Jonathan; Ganguly, Abir; York, Darrin M.; Khare, Sagar D.; Izgu, Enver Cagri
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Tuning flavin environment to detect and control light-induced conformational switching in Drosophila cryptochrome
errCOMMUNICATIONS BIOLOGY
IF5.1
err2021-02-26
err25
errOAAI
errChandrasekaran, Siddarth; Schneps, Connor M.; Dunleavy, Robert; Lin, Changfan; DeOliveira, Cristina C.; Ganguly, Abir; Crane, Brian R.
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Confluence of theory and experiment reveals the catalytic mechanism of the Varkud satellite ribozyme
errNATURE CHEMISTRY
IF20.2
err2020-01-20
err41
errOAAI
errGanguly, Abir; Weissman, Benjamin P.; Giese, Timothy J.; Li, Nan-Sheng; Hoshika, Shuichi; Rao, Saieesh; Benner, Steven A.; Piccirilli, Joseph A.; York, Darrin M.
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Evidence for a Catalytic Strategy to Promote Nucleophile Activation in Metal-Dependent RNA-Cleaving Ribozymes and 8-17 DNAzyme
errACS CATALYSIS
IF13.1
err2019-10-27
err24
errOAAI
errGanguly, Abir; Weissman, Benjamin P.; Piccirilli, Joseph A.; York, Darrin M.
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An Ontology for Facilitating Discussion of Catalytic Strategies of RNA-Cleaving Enzymes
errACS CHEMICAL BIOLOGY
IF3.8
err2019-05-16
err52
errOAAI
errBevilacqua, Philip C.; Harris, Michael E.; Piccirilli, Joseph A.; Gaines, Colin; Ganguly, Abir; Kostenbader, Ken; Ekesan, Solen; York, Darrin M.
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Importance of MM Polarization in QM/MM Studies of Enzymatic Reactions: Assessment of the QM/MM Drude Oscillator Model
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-05-02
err38
errOAAI
errGanguly, Abir; Boulanger, Eliot; Thiel, Walter
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Glutamine Amide Flip Elicits Long Distance Allosteric Responses in the LOV Protein Vivid
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2017-02-13
err30
errOAAI
errGanguly, Abir; Thiel, Walter; Crane, Brian R.
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Changes in active site histidine hydrogen bonding trigger cryptochrome activation
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2016-08-22
err53
errOAAI
errGanguly, Abir; Manahan, Craig C.; Top, Deniz; Yee, Estella F.; Lin, Changfan; Young, Michael W.; Thiel, Walter; Crane, Brian R.
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Role of the Active Site Guanine in the glmS Ribozyme Self-Cleavage Mechanism: Quantum Mechanical/Molecular Mechanical Free Energy Simulations
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2015-01-12
err56
errOAAI
errZhang, Sixue; Ganguly, Abir; Goyal, Puja; Bingaman, Jamie L.; Bevilacqua, Philip C.; Hammes-Schiffer, Sharon
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Quantum Mechanical/Molecular Mechanical Free Energy Simulations of the Self-Cleavage Reaction in the Hepatitis Delta Virus Ribozyme
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2014-01-15
err71
errOAAI
errGanguly, Abir; Thaplyal, Pallavi; Rosta, Edina; Bevilacqua, Philip C.; Hammes-Schiffer, Sharon
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Excess entropy and structural transitions in a two-dimensional square-shoulder fluid
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2010-02-17
err22
PREAI
errSingh, Murari; Liu, Hongjun; Kumar, Sanat K.; Ganguly, Abir; Chakravarty, Charusita
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Research Directions

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Co-authors
Cooperation Journals
W
Walter Thiel
H-index: 106 · Papers: 1.3K
K
Kenneth M. Merz
H-index: 83 · Papers: 691
S
Sharon Hammes‐Schiffer
H-index: 83 · Papers: 682
S
Sanat K. Kumar
H-index: 80 · Papers: 567
M
Michael W. Young
H-index: 73 · Papers: 177
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