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Application of the fragment molecular orbital method for determination of atomic charges on polypeptides. II. Towards an improvement of force fields used for classical molecular dynamics simulations

EngineeringBiochemistryNatural SciencesIon StructurePhysical ChemistryComputational ChemistryMolecular BiophysicsQuantum ChemistryAtomic ChargesMolecular MechanicForce FieldsMolecular DynamicsMolecular FragmentationBiophysicsComputational Biophysics