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Abir Ganguly

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Position: Assistant Research Professor
Education:
St. Xavier's College - Kolkata (B.S. Chemistry) 2006, Indian Institute of Technology - Delhi (M.S. Chemistry) 2008, University of Illinois at Urbana Champaign - Chemistry (Ph.D.) 2014
Email: abir.ganguly[at]rutgers.edu
Office: CIPR-308


About Me:

My research interests are in RNA catalysis and free energy methods.





Publications:

ACES: Optimized Alchemically Enhanced Sampling

(2023) 19, 472–487
DOI: 10.1021/acs.jctc.2c00697
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AMBER Free Energy Tools: A New Framework for the Design of Optimized Alchemical Transformation Pathways

(2023) 19, 640–658
DOI: 10.1021/acs.jctc.2c00725
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AMBER Drug Discovery Boost Tools: Automated Workflow for Production Free-Energy Simulation Setup and Analysis (ProFESSA)

(2022) 62, 6069-6083
DOI: 10.1021/acs.jcim.2c00879
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Introducing a New Bond-Forming Activity in an Archaeal DNA Polymerase by Structure-Guided Enzyme Redesign

(2022) 17, 1924-1936
DOI: 10.1021/acschembio.2c00373
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Robust, Efficient and Automated Methods for Accurate Prediction of Protein-Ligand Binding Affinities in AMBER Drug Discovery Boost

(2021) 1397, 161-204
ISBN: 12345
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Peripheral Methionine Residues Impact Flavin Photoreduction and Protonation in an Engineered LOV Domain Light Sensor

(2021) 60, 1148-1164
DOI: 10.1021/acs.biochem.1c00064
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Confluence of theory and experiment reveals the catalytic mechanism of the Varkud satellite ribozyme

(2020) 12, 193-201
DOI: 10.1038/s41557-019-0391-x
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Evidence for a Catalytic Strategy to Promote Nucleophile Activation in Metal-Dependent RNA-Cleaving Ribozymes and 8-17 DNAzyme

(2019) 9, 10612-10617
DOI: 10.1021/acscatal.9b02035
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An Ontology for Facilitating Discussion of Catalytic Strategies of RNA-Cleaving Enzymes

(2019) 14, 1068-1076
DOI: 10.1021/acschembio.9b00202
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