Atanu Acharya (A Acharya)

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 27

Top Topics

Electron Transfer

Angiotensin Converting Enzyme

Molecular Dynamics

Top Venues

The journal of physical chemistry letters

Journal of chemical theory and computation

Journal of the American Chemical Society

Nature chemical biology

This page only lists publications with an associated author ORCID identifier.

Publications

Diyali Sil, Edin Osmanbasic, Sasthi Charan Mandal, Atanu Acharya, Chayan Dutta
Variable Non-Gaussian Transport of Nanoplastic on Supported Lipid Bilayers in Saline Conditions. The journal of physical chemistry letters 15 (20) (2024)
Diyali Sil, Edin Osmanbasic, Sasthi Charan Mandal, Atanu Acharya, Chayan Dutta
Variable Non-Gaussian Transport of Nanoplastic on Supported Lipid Bilayers in Saline Conditions. The journal of physical chemistry letters (2024)
Ronit Sarangi, Suman Maity, Atanu Acharya
Machine Learning Approach to Vertical Energy Gap in Redox Processes. Journal of chemical theory and computation (2024)
Ronit Sarangi, Suman Maity, Atanu Acharya
Machine Learning Approach to Vertical Energy Gap in Redox Processes. Journal of chemical theory and computation 20 (15) (2024)
Ronit Sarangi, Suman Maity, Atanu Acharya
Machine Learning Approach to Vertical Energy Gap in Redox Processes. Journal of chemical theory and computation 20 (15) (2024)
Diyali Sil, Edin Osmanbasic, Sasthi Charan Mandal, Atanu Acharya, Chayan Dutta
Variable Non-Gaussian Transport of Nanoplastic on Supported Lipid Bilayers in Saline Conditions. The journal of physical chemistry letters 15 (20) (2024)
Ronit Sarangi, Suman Maity, Atanu Acharya
Machine Learning Approach to Vertical Energy Gap in Redox Processes. Journal of chemical theory and computation 20 (15) (2024)
Diyali Sil, Edin Osmanbasic, Sasthi Charan Mandal, Atanu Acharya, Chayan Dutta
Variable Non-Gaussian Transport of Nanoplastic on Supported Lipid Bilayers in Saline Conditions. The journal of physical chemistry letters 15 (20) (2024)
Suman Maity, Atanu Acharya
Many Roles of Carbohydrates: A Computational Spotlight on the Coronavirus S Protein Binding. ACS applied bio materials (2023)
Victor G Lui, Manfred Hoenig, Berenice Cabrera-Martinez, Ryan M Baxter, Josselyn E Garcia-Perez, Olivia Bailey, Atanu Acharya, Karl Lundquist, Jesusa Capera, Paul Matusewicz, Frederike A Hartl, Marco D'Abramo, Josephine Alba, Eva-Maria Jacobsen, Doris Niewolik, Myriam Lorenz, Ulrich Pannicke, Ansgar S Schulz, Klaus-Michael Debatin, Wolfgang W A Schamel, Susana Minguet, James C Gumbart, Michael L Dustin, John C Cambier, Klaus Schwarz, Elena W Y Hsieh
A partial human LCK defect causes a T cell immunodeficiency with intestinal inflammation. The Journal of experimental medicine 221 (1) (2023)
Peter J Dahl, Sophia M Yi, Yangqi Gu, Atanu Acharya, Catharine C Shipps, Jens Neu, J Patrick O'Brien, Uriel N Morzan, Subhajyoti Chaudhuri, Matthew J Guberman-Pfeffer, Dennis Vu, Sibel Ebru Yalcin, Victor S Batista, Nikhil S Malvankar
A 300-fold conductivity increase in microbial cytochrome nanowires due to temperature-induced restructuring of hydrogen bonding networks. Science advances 8 (19) (2022)
Casey M Stevens, Svitlana O Babii, Amitkumar N Pandya, Wei Li, Yupeng Li, Jitender Mehla, Robyn Scott, Pooja Hegde, Pavan Kumar Prathipati, Atanu Acharya, Jinchan Liu, James C Gumbart, Jeffrey North, Mary Jackson, Helen I Zgurskaya
Proton transfer activity of the reconstituted Mycobacterium tuberculosis MmpL3 is modulated by substrate mimics and inhibitors. Proceedings of the National Academy of Sciences of the United States of America 119 (30) (2022)
Atanu Acharya, Dongqi Yi, Anna Pavlova, Vinayak Agarwal, James C Gumbart
Resolving the Hydride Transfer Pathway in Oxidative Conversion of Proline to Pyrrole. Biochemistry 61 (3) (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, Zehava Eichenbaum, Binghe Wang
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 8 (8) (2022)
Yui Tik Pang, Atanu Acharya, Diane L Lynch, Anna Pavlova, James C Gumbart
SARS-CoV-2 spike opening dynamics and energetics reveal the individual roles of glycans and their collective impact. Communications biology 5 (1) (2022)
Anna Pavlova, Zijian Zhang, Atanu Acharya, Diane L Lynch, Yui Tik Pang, Zhongyu Mou, Jerry M Parks, Christophe J Chipot, James C Gumbart
Machine Learning Reveals the Critical Interactions for SARS-CoV-2 Spike Protein Binding to ACE2. The journal of physical chemistry letters 12 (23) (2021)
Dongqi Yi, Atanu Acharya, James C Gumbart, Will R Gutekunst, Vinayak Agarwal
Gatekeeping Ketosynthases Dictate Initiation of Assembly Line Biosynthesis of Pyrrolic Polyketides. Journal of the American Chemical Society 143 (20) (2021)
Atanu Acharya, Diane L Lynch, Anna Pavlova, Yui Tik Pang, James C Gumbart
ACE2 glycans preferentially interact with SARS-CoV-2 over SARS-CoV. Chemical communications (Cambridge, England) 57 (48) (2021)
Anna Pavlova, Diane L Lynch, Isabella Daidone, Laura Zanetti-Polzi, Micholas Dean Smith, Chris Chipot, Daniel W Kneller, Andrey Y Kovalevsky, Leighton Coates, Andrei A Golosov, Callum J Dickson, Camilo Velez-Vega, José S Duca, Josh Vincent Vermaas, Yui Tik Pang, Atanu Acharya, Jerry M Parks, Jeremy C Smith, James C Gumbart
Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease. Chemical science 12 (4) (2020)
Sibel Ebru Yalcin, J Patrick O'Brien, Yangqi Gu, Krystle Reiss, Sophia M Yi, Ruchi Jain, Vishok Srikanth, Peter J Dahl, Winston Huynh, Dennis Vu, Atanu Acharya, Subhajyoti Chaudhuri, Tamas Varga, Victor S Batista, Nikhil S Malvankar
Electric field stimulates production of highly conductive microbial OmcZ nanowires. Nature chemical biology 16 (10) (2020)
Kyle W East, Jocelyn C Newton, Uriel N Morzan, Yogesh B Narkhede, Atanu Acharya, Erin Skeens, Gerwald Jogl, Victor S Batista, Giulia Palermo, George P Lisi
Allosteric Motions of the CRISPR-Cas9 HNH Nuclease Probed by NMR and Molecular Dynamics. Journal of the American Chemical Society 142 (3) (2020)
Atanu Acharya, Rupesh Agarwal, M B Baker, Jerome Y Baudry, Debsindhu Bhowmik, S Boehm, K G Byler, S Y Chen, Leighton Coates, Connor J Cooper, O Demerdash, Isabella Daidone, J D Eblen, S Ellingson, Stefano Forli, J Glaser, James C Gumbart, J Gunnels, O Hernandez, Stephan Irle, D W Kneller, Andrey Y Kovalevsky, J Larkin, T J Lawrence, S LeGrand, Shih-Hsien Liu, J C Mitchell, G Park, Jerry M Parks, A Pavlova, Loukas Petridis, D Poole, L Pouchard, A Ramanathan, David M Rogers, D Santos-Martins, A Scheinberg, Ada Sedova, Y Shen, Micholas D Smith, Micholas Dean Smith, C Soto, A Tsaris, M Thavappiragasam, A F Tillack, Josh Vincent Vermaas, V Q Vuong, J Yin, S Yoo, M Zahran, Laura Zanetti-Polzi
Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19. Journal of chemical information and modeling 60 (12) (2020)
Benjamin Rudshteyn, Atanu Acharya, Victor S Batista
Is the Supporting Information the Venue for Reproducibility and Transparency? The journal of physical chemistry. A 121 (51) (2019)
Subhajyoti Chaudhuri, Atanu Acharya, Erik T J Nibbering, Victor S Batista
Regioselective Ultrafast Photoinduced Electron Transfer from Naphthols to Halocarbon Solvents. The journal of physical chemistry letters 10 (11) (2019)
Atanu Acharya, Subhajyoti Chaudhuri, Victor S Batista
Can TDDFT Describe Excited Electronic States of Naphthol Photoacids? A Closer Look with EOM-CCSD. Journal of chemical theory and computation 14 (2) (2018)
Benjamin Rudshteyn, Atanu Acharya, Victor S Batista
Is the Supporting Information the Venue for Reproducibility and Transparency? The journal of physical chemistry. B 121 (51) (2018)
Joseph A Christensen, Brian T Phelan, Subhajyoti Chaudhuri, Atanu Acharya, Victor S Batista, Michael R Wasielewski
Phenothiazine Radical Cation Excited States as Super-oxidants for Energy-Demanding Reactions. Journal of the American Chemical Society 140 (15) (2018)