Multiscale computational study of ligand binding pathways: Case of p38 MAP kinase and its inhibitors
Yu‐ming M. Huang
Topics & Concepts
Allosteric regulationMolecular dynamicsKinaseLigand (biochemistry)ChemistryEnergy landscapeBiophysicsBinding siteStereochemistryBiochemistryEnzymeComputational chemistryBiologyReceptorComputational Drug Discovery MethodsMelanoma and MAPK PathwaysProtein Structure and Dynamics