Ligand Gaussian accelerated molecular dynamics (LiGaMD): Characterization of ligand binding thermodynamics and kinetics
Yinglong Miao, Apurba Bhattarai, wang Jinan
Topics & Concepts
KineticsLigand (biochemistry)ThermodynamicsMolecular dynamicsDynamics (music)ChemistryGaussianCharacterization (materials science)Statistical physicsPhysicsComputational chemistryMaterials scienceClassical mechanicsBiochemistryNanotechnologyAcousticsReceptorMolecular Junctions and NanostructuresAdvanced Chemical Physics StudiesSpectroscopy and Quantum Chemical Studies