High-Throughput Structure-Based Drug Design (HT-SBDD) Using Drug Docking, Fragment Molecular Orbital Calculations, and Molecular Dynamic Techniques
Reuben L. Martin, Alexander Heifetz, Mike J. Bodkin, Andrea Townsend‐Nicholson
Topics & Concepts
Fragment molecular orbitalDrugComputer scienceDocking (animal)ChemistryMolecular orbitalPharmacologyMedicineMoleculeOrganic chemistryNursingComputational Drug Discovery MethodsProtein Structure and DynamicsCancer therapeutics and mechanisms