Dynamic Profiling of β-Coronavirus 3CL M<sup>pro</sup> Protease Ligand-Binding Sites
Eunice Cho, Margarida Rosa, Ruhi Anjum, Saman Mehmood, Mariya Soban, Moniza Mujtaba, Khair Bux, Syed Tarique Moin, Mohammad Tanweer, Sarath Chandra Dantu, Alessandro Pandini, Junqi Yin, Heng Ma, Arvind Ramanathan, Barira Islam, Antonia S. J. S. Mey, Debsindhu Bhowmik, Shozeb Haider
Abstract
enzymes with a single pan inhibitor.
Topics & Concepts
Computational biologyCoronavirusBinding siteLigand (biochemistry)In silicoBiologyChemistryCoronavirus disease 2019 (COVID-19)GeneticsMedicineInfectious disease (medical specialty)GeneDiseaseReceptorPathologyComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 ResearchProtein Structure and Dynamics