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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

(3)

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Working Paper

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Parimal Kar

4 results in Authors: Parimal Kar

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

401

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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

1,122

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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

461

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1

Citations

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

726

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