Publication | Open Access

Effect of explicit water molecules on ligand-binding affinities calculated with the MM/GBSA approach

EngineeringBiochemistryMedicineExplicit Water MoleculesMolecular SimulationComputational ChemistryLigand-binding AffinitiesNon-peptide LigandMolecular RecognitionMolecular DockingMolecular ModelingBiophysicsMm/gbsa Approach