| 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 | 237 | 2017 |
| 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 | 156 | 2020 |
| 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 | 122 | 2020 |
| 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 | 109 | 2018 |
| 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 | 91 | 2016 |
| 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 | 81 | 2020 |
| 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 | 62 | 2016 |
| 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 | 59 | 2021 |
| 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 | 50 | 2021 |
| 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 | 39 | 2022 |
| 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 | 32 | 2022 |
| 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 | 30 | 2018 |
| ACE2 glycans preferentially interact with SARS-CoV-2 over SARS-CoV A Acharya, DL Lynch, A Pavlova, YT Pang, JC Gumbart Chemical Communications, 2021 | 23 | 2021 |
| 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 | 22 | 2012 |
| 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 | 21 | 2020 |
| 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 | 15 | 2019 |
| 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 | 11 | 2022 |
| 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 | 10 | 2022 |
| 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 | 10 | 2021 |
| 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 | 10 | 2019 |
Victor BatistaJohn Gamble Kirkwood Professor of Chemistry, Yale UniversityVerified email at yale.edu
