MAYANK KOHLI

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Publications (5)

• Bridging Scales in Drug Binding Kinetics: Residence Time Estimation via All-Atom and Coarse-Grained Simulations
  2025 DOI: 10.26434/chemrxiv-2025-9zzlc-v2
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• Bridging Scales in Drug Binding Kinetics: Residence Time Estimation via All-Atom and Coarse-Grained Simulations
  2025 DOI: 10.26434/chemrxiv-2025-9zzlc
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• In silico studies disclose the underlying link between binding affinity and redox potential in laccase isoforms
  Journal of Biomolecular Structure and Dynamics 2023 DOI: 10.1080/07391102.2022.2120540
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• In silico screening of phytochemical compounds and FDA drugs as potential inhibitors for NSP16/10 5' methyl transferase activity
  Journal of Biomolecular Structure and Dynamics 2023 DOI: 10.1080/07391102.2021.2005680
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• Molecular docking and molecular dynamics simulation of the anticancer active ligand from Mimosa pudica to the Fibronectin Extra Domain A (EDA)
  2021 DOI: 10.1101/2021.07.30.454465
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