All papers authored by Atanu Acharya
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2022
Bingchen Yu 
,
Manjusha Roy Choudhury,
Xiaoxiao Yang ,
Stéphane L. Benoit,
Edroyal Womack,
Kristin Van Mouwerik Lyles ,
Atanu Acharya ,
Arvind Kumar,
Ce Yang,
Anna Pavlova,
Mengyuan Zhu,
Zhengnan Yuan,
James C. Gumbart ,
David W. Boykin,
Robert J. Maier
and 2 other authors
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,
Manjusha Roy Choudhury,
Xiaoxiao Yang ,
Stéphane L. Benoit,
Edroyal Womack,
Kristin Van Mouwerik Lyles ,
Atanu Acharya ,
Arvind Kumar,
Ce Yang,
Anna Pavlova,
Mengyuan Zhu,
Zhengnan Yuan,
James C. Gumbart ,
David W. Boykin,
Robert J. Maier
and 2 other authors
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2021
Anna Pavlova ,
Diane L. Lynch,
Isabella Daidone ,
Laura Zanetti-Polzi ,
Micholas Dean Smith,
Chris Chipot,
Daniel W. Kneller ,
Andrey Kovalevsky ,
Leighton Coates ,
Andrei A. Golosov,
Callum J. Dickson,
Jeremy C. Smith,
Camilo Velez-Vega,
Jose S. Duca ,
Josh V. Vermaas
and 5 other authors
,
Diane L. Lynch,
Isabella Daidone ,
Laura Zanetti-Polzi ,
Micholas Dean Smith,
Chris Chipot,
Daniel W. Kneller ,
Andrey Kovalevsky ,
Leighton Coates ,
Andrei A. Golosov,
Callum J. Dickson,
Jeremy C. Smith,
Camilo Velez-Vega,
Jose S. Duca ,
Josh V. Vermaas
and 5 other authors
Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease
Download from pubs.rsc.org
2020
Atanu Acharya ,
Rupesh Agarwal ,
Matthew B. Baker,
Jerome Baudry ,
Debsindhu Bhowmik ,
Swen Boehm,
Kendall G. Byler,
Leighton Coates ,
Sam Yen-Chi Chen,
Connor J. Cooper ,
Omar Demerdash,
Isabella Daidone ,
John D. Eblen,
Sally R. Ellingson,
Stefano Forli
and 37 other authors
,
Rupesh Agarwal ,
Matthew B. Baker,
Jerome Baudry ,
Debsindhu Bhowmik ,
Swen Boehm,
Kendall G. Byler,
Leighton Coates ,
Sam Yen-Chi Chen,
Connor J. Cooper ,
Omar Demerdash,
Isabella Daidone ,
John D. Eblen,
Sally R. Ellingson,
Stefano Forli
and 37 other authors
Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19
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Alexey M. Bogdanov,
Atanu Acharya ,
Anastasia V. Titelmayer,
Anastasia V. Mamontova,
Ksenia B. Bravaya,
Anatoly B. Kolomeisky,
Konstantin A. Lukyanov,
Anna I. Krylov
Download from doi.org
,
Anastasia V. Titelmayer,
Anastasia V. Mamontova,
Ksenia B. Bravaya,
Anatoly B. Kolomeisky,
Konstantin A. Lukyanov,
Anna I. Krylov
Download from doi.org
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