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1 article related to "Ensemble Sampling"

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Articles

Original Research

Published on 13 Jan 2021

Microsecond MD Simulation and Multiple-Conformation Virtual Screening to Identify Potential Anti-COVID-19 Inhibitors Against SARS-CoV-2 Main Protease

in Medicinal and Pharmaceutical Chemistry

Chandrabose Selvaraj
Umesh Panwar
Dhurvas Chandrasekaran Dinesh
Evzen Boura
Poonam Singh
Vikash Kumar Dubey
Sanjeev Kumar Singh

Frontiers in Chemistry

doi 10.3389/fchem.2020.595273

23,367 views
61 citations