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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

2023Methods in molecular biology18 citationsDOIOpen Access PDF

Topics & Concepts

Fragment molecular orbitalDrugComputer scienceDocking (animal)ChemistryMolecular orbitalPharmacologyMedicineMoleculeOrganic chemistryNursingComputational Drug Discovery MethodsProtein Structure and DynamicsCancer therapeutics and mechanisms
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