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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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A computational essential dynamics approach to investigate structural influences of ligand binding on Papain like

Ekampreet Singh1, Rajat Kumar Jha1, Rameez Jabeer Khan1

  • 1Department of Biotechnology, School of Engineering and Technology, Sharda University, 201310 Greater Noida, Uttar Pradesh, India.

Computational Biology and Chemistry
|July 14, 2022
PubMed

Keywords:
Essential dynamicsMolecular dynamics simulationsPapain like proteasePrincipal component analysis

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