Development of AMBER parameters for molecular dynamics simulations of boron compounds containing aromatic structure
Barış Kurt, Hamdi Temel
Topics & Concepts
Molecular dynamicsBoronForce field (fiction)Ligand (biochemistry)Computational chemistryRoot mean squareChemistryMoleculeChemical physicsPhysical chemistryMaterials scienceOrganic chemistryPhysicsReceptorQuantum mechanicsBiochemistryDNA and Nucleic Acid ChemistryOrganoboron and organosilicon chemistryOrganometallic Complex Synthesis and Catalysis