Molecular Dynamics Simulation Techniques as Tools in Drug Discovery and Pharmacology: A Focus on Allosteric Drugs
Chiara Bianca Maria Platania, Claudio Bucolo
Topics & Concepts
Allosteric regulationMolecular dynamicsDrug discoveryComputational biologyChemistryAllosteric enzymeLigand (biochemistry)Small moleculeComputational chemistryBiologyBiochemistryEnzymeReceptorComputational Drug Discovery MethodsProtein Structure and DynamicsReceptor Mechanisms and Signaling