Recent progress in general force fields of small molecules
Xibing He, Brandon Walker, Viet Hoang Man, Pengyu Ren, Junmei Wang
Topics & Concepts
TransferabilityForce field (fiction)PolarizabilityComputer scienceChemical spaceMolecular mechanicsMoleculeSmall moleculeAtom (system on chip)NanotechnologyMolecular dynamicsComputational chemistryArtificial intelligenceChemistryMachine learningPhysicsBioinformaticsMaterials scienceDrug discoveryBiologyQuantum mechanicsLogitEmbedded systemBiochemistryProtein Structure and DynamicsComputational Drug Discovery MethodsMass Spectrometry Techniques and Applications