Using molecular docking and molecular dynamics to investigate protein-ligand interactions

By Connor J. Morris, Dennis Della Corte. 2021

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Molecular docking and molecular dynamics (MD) are powerful tools used to investigate protein-ligand interactions. Molecular docking programs predict the binding pose and affinity of a protein-ligan...

View Paper: https://www.semanticscholar.org/paper/a450d3d90c459d92ed3e44f98234f5ffaef995e1