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Atanu Acharya
Atanu Acharya
Syracuse University. Former affiliations: Georgia Tech, Yale University, and USC
Verified email at syr.edu - Homepage
Title
Cited by
Cited by
Year
Photoinduced Chemistry in Fluorescent Proteins: Curse or Blessing?
A Acharya, AM Bogdanov, BL Grigorenko, KB Bravaya, AV Nemukhin, ...
Chemical Reviews 117 (2), 758-795, 2017
2362017
Supercomputer-based ensemble docking drug discovery pipeline with application to COVID-19
A Acharya, R Agarwal, MB Baker, J Baudry, D Bhowmik, S Boehm, ...
Journal of chemical information and modeling 60 (12), 5832-5852, 2020
1562020
Electric field stimulates production of highly conductive microbial OmcZ nanowires
SE Yalcin, JP O’Brien, Y Gu, K Reiss, SM Yi, R Jain, V Srikanth, PJ Dahl, ...
Nature chemical biology 16 (10), 1136-1142, 2020
1162020
Phenothiazine Radical Cation Excited States as Super-oxidants for Energy-Demanding Reactions
JA Christensen, BT Phelan, S Chaudhuri, A Acharya, VS Batista, ...
Journal of the American Chemical Society 140 (15), 5290-5299, 2018
1082018
Extension of the effective fragment potential method to macromolecules
PK Gurunathan, A Acharya, D Ghosh, D Kosenkov, I Kaliman, Y Shao, ...
The Journal of Physical Chemistry B 120 (27), 6562-6574, 2016
912016
Allosteric Motions of the CRISPR-Cas9 HNH Nuclease Probed by NMR and Molecular Dynamics
KW East, JC Newton, UN Morzan, Y Narkhede, A Acharya, E Skeens, ...
Journal of the American Chemical Society, 2020
812020
Turning On and Off Photoinduced Electron Transfer in Fluorescent Proteins by π-Stacking, Halide Binding, and Tyr145 Mutations
AM Bogdanov, A Acharya, AV Titelmayer, AV Mamontova, KB Bravaya, ...
Journal of American Chemical Society 138 (14), 4807–4817, 2016
612016
Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease
A Pavlova, DL Lynch, I Daidone, L Zanetti-Polzi, MD Smith, C Chipot, ...
Chemical Science 12 (4), 1513-1527, 2021
592021
Machine Learning Reveals the Critical Interactions for SARS-CoV-2 Spike Protein Binding to ACE2
A Pavlova, Z Zhang, A Acharya, DL Lynch, YT Pang, Z Mou, JM Parks, ...
The Journal of Physical Chemistry Letters 12, 5494-5502, 2021
482021
SARS-CoV-2 spike opening dynamics and energetics reveal the individual roles of glycans and their collective impact
YT Pang, A Acharya, DL Lynch, A Pavlova, JC Gumbart
Communications biology 5 (1), 1-11, 2022
362022
A 300-fold conductivity increase in microbial cytochrome nanowires due to temperature-induced restructuring of hydrogen bonding networks
PJ Dahl, SM Yi, Y Gu, A Acharya, C Shipps, J Neu, JP O’Brien, ...
Science Advances 8 (19), eabm7193, 2022
302022
Can TDDFT Describe Excited Electronic States of Naphthol Photoacids? A Closer Look with EOM-CCSD
A Acharya, S Chaudhuri, VS Batista
Journal of Chemical Theory and Computation 14 (2), 867-876, 2018
302018
ACE2 glycans preferentially interact with SARS-CoV-2 over SARS-CoV
A Acharya, DL Lynch, A Pavlova, YT Pang, JC Gumbart
Chemical Communications, 2021
232021
Toward Understanding the Redox Properties of Model Chromophores from the Green Fluorescent Protein Family: An Interplay between Conjugation, Resonance Stabilization, and …
D Ghosh, A Acharya, SC Tiwari, AI Krylov
The Journal of Physical Chemistry B 116 (41), 12398-12405, 2012
222012
The Effect of (-)-epigallocatechin-3-gallate on the Amyloid-β Secondary Structure
A Acharya, J Stockmann, L Beyer, T Rudack, A Nabers, JC Gumbart, ...
Biophysical Journal 119, 2020
212020
Influence of the First Chromophore-Forming Residue on Photobleaching and Oxidative Photoconversion of EGFP and EYFP
T Sen, AV Mamontova, AV Titelmayer, AM Shakhov, AA Astafiev, ...
International Journal of Molecular Sciences 20 (20), 5229, 2019
152019
Restoring and Enhancing the Potency of Existing Antibiotics against Drug-Resistant Gram-Negative Bacteria through the Development of Potent Small-Molecule Adjuvants
B Yu, M Roy Choudhury, X Yang, SL Benoit, E Womack, ...
ACS Infectious Diseases 8 (8), 1491-1508, 2022
112022
Gatekeeping Ketosynthases Dictate Initiation of Assembly Line Biosynthesis of Pyrrolic Polyketides
D Yi, A Acharya, JC Gumbart, WR Gutekunst, V Agarwal
Journal of the American Chemical Society 143 (20), 7617-7622, 2021
102021
Regioselective Ultrafast Photoinduced Electron Transfer from Naphthols to Halocarbon Solvents
S Chaudhuri, A Acharya, E Nibbering, VS Batista
J. Phys. Chem. Lett. 10, 2657–2662, 2019
102019
Proton transfer activity of the reconstituted Mycobacterium tuberculosis MmpL3 is modulated by substrate mimics and inhibitors
CM Stevens, SO Babii, AN Pandya, W Li, Y Li, J Mehla, R Scott, P Hegde, ...
Proceedings of the National Academy of Sciences 119 (30), e2113963119, 2022
92022
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