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Biological and Medicinal Chemistry

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Sayan Kar

5 results in Authors: Sayan Kar

Theoretical and Computational Chemistry

Finding Potent Inhibitors Against SARS-CoV-2 Main Protease Through Virtual Screening, ADMET, and Molecular Dynamic Simulation Studies

Rajarshi Roy, Md Fulbabu Sk, Nisha Amarnath Jonniya, Sayan Poddar, Parimal Kar

Version 1 posted 24 July 2020

747

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Theoretical and Computational Chemistry

Elucidating Biophysical Basis of Binding of Inhibitors to SARS-CoV-2 Main Protease by Using Molecular Dynamics Simulations and Free Energy Calculations

Md Fulbabu Sk, Rajarshi Roy, Nisha Amarnath Jonniya, Sayan Poddar, Parimal Kar

Version 1 posted 06 April 2020

1,136

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Theoretical and Computational Chemistry

Conformational Preferences of Triantennary and Tetraantennary Hybrid N-Glycans in Solution: Insights from 20 μS Long Atomistic Molecular Dynamic Simulations

Rajarshi Roy, Sayan Poddar, Parimal Kar

Version 1 posted 27 July 2020

410

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Integrated Capture and Solar-driven Utilization of CO2 from Flue Gas and Air

Sayan Kar, Motiar Rahaman, Virgil Andrei, Subhajit Bhattacharjee, Souvik Roy, Erwin Reisner

Version 1 posted 23 February 2023

1,135

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Biological and Medicinal Chemistry

Computational Investigation of Structural Dynamics of SARS-CoV-2 Methyltransferase-Stimulatory Factor Heterodimer Nsp16/nsp10 Bound to the Cofactor SAM

Md Fulbabu Sk, Nisha Amarnath Jonniya, Rajarshi Roy, Sayan Poddar, Parimal Kar

Version 1 posted 06 July 2020

480

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1

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