Multiscale simulation approaches to modeling drug–protein binding
Benjamin R. Jagger, Sarah E. Kochanek, Susanta Haldar, Rommie E. Amaro, Adrian J. Mulholland
Topics & Concepts
Computer scienceMultiscale modelingComputational biologyDrug discoveryBiochemical engineeringBioinformaticsBiologyEngineeringProtein Structure and DynamicsProtein purification and stabilityChemical Synthesis and Analysis