Atanu Acharya

2022- Chemistry Syracuse University, Syracuse, NY, United States 
quantum chemistry, molecular dynamics simulations, QM/MM simulations, docking calculations, python, tcl, NAMD, VMD, Gaussian, ORCA, and QChem.
"Atanu Acharya"
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Cross-listing: Chemistry Tree


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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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Sasthi Charan Mandal post-doc Syracuse (Chemistry Tree)
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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
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