Atanu Acharya
Affiliations: | 2022- | Chemistry | Syracuse University, Syracuse, NY, United States |
Area:
quantum chemistry, molecular dynamics simulations, QM/MM simulations, docking calculations, python, tcl, NAMD, VMD, Gaussian, ORCA, and QChem.Google:
"Atanu Acharya"Mean distance: (not calculated yet)
Cross-listing: Chemistry Tree
Parents
Sign in to add mentor| Anna I. Krylov | grad student | 2016 | USC (Chemistry Tree) | |
| (Photoinduced redox reactions in biologically relevant systems) | ||||
| Victor S. Batista | post-doc | 2017-2018 | Yale (Chemistry Tree) | |
| James C. Gumbart | post-doc | 2019-2022 | Georgia Tech (Chemistry Tree) | |
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Publications
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| Li Y, Acharya A, Yang L, et al. (2023) Insights into substrate transport and water permeation in the mycobacterial transporter MmpL3. Biophysical Journal |
| Pang YT, Acharya A, Lynch DL, et al. (2022) SARS-CoV-2 spike opening dynamics and energetics reveal the individual roles of glycans and their collective impact. Communications Biology. 5: 1170 |
| Stevens CM, Babii SO, Pandya AN, et al. (2022) Proton transfer activity of the reconstituted MmpL3 is modulated by substrate mimics and inhibitors. Proceedings of the National Academy of Sciences of the United States of America. 119: e2113963119 |
| Yu B, Roy Choudhury M, Yang X, et al. (2022) Restoring and Enhancing the Potency of Existing Antibiotics against Drug-Resistant Gram-Negative Bacteria through the Development of Potent Small-Molecule Adjuvants. Acs Infectious Diseases |
| Dahl PJ, Yi SM, Gu Y, et al. (2022) A 300-fold conductivity increase in microbial cytochrome nanowires due to temperature-induced restructuring of hydrogen bonding networks. Science Advances. 8: eabm7193 |
| Acharya A, Yi D, Pavlova A, et al. (2022) Resolving the Hydride Transfer Pathway in Oxidative Conversion of Proline to Pyrrole. Biochemistry |
| Zhan Z, Ryoo D, Balusek C, et al. (2021) Inward-facing glycine residues create sharp turns in β-barrel membrane proteins. Biochimica Et Biophysica Acta. Biomembranes. 183662 |
| Pavlova A, Zhang Z, Acharya A, et al. (2021) Machine Learning Reveals the Critical Interactions for SARS-CoV-2 Spike Protein Binding to ACE2. The Journal of Physical Chemistry Letters. 5494-5502 |
| Acharya A, Lynch DL, Pavlova A, et al. (2021) ACE2 glycans preferentially interact with SARS-CoV-2 over SARS-CoV. Chemical Communications (Cambridge, England) |
| Yi D, Acharya A, Gumbart JC, et al. (2021) Gatekeeping Ketosynthases Dictate Initiation of Assembly Line Biosynthesis of Pyrrolic Polyketides. Journal of the American Chemical Society |