Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5150793 | Coordination Chemistry Reviews | 2017 | 46 Pages |
Keywords
nAMDnanoscale molecular dynamicsour own n-layered integrated molecular orbital and molecular mechanicsUFFPM6CHARMmSMDB3LYPPMFPDBPCMNBOPESDFTONIOMQM/MMForce fieldMolecular dynamicsSteered Molecular DynamicsParticle mesh EwaldPotential energy surfacePMEchemistry at Harvard molecular mechanicsNatural Bond OrbitalPolarizable continuum modelQuantum mechanicsQuantum mechanics/molecular mechanicsUniversal Force FieldDensity functional theoryPotential of mean forceProtein Data BankCarbonic anhydrase
Related Topics
Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
Authors
Paolo Piazzetta, Tiziana Marino, Nino Russo, Dennis R. Salahub,