86.Dang，L.X.，IntermolecularInteractionsofLiquidDichloromethaneandEquilibriumPropertiesofLiquid-VaporandLiquid-LiquidInterfaces：aMolecularDynamicsStudy，J.Chem.Phys.1999，110：
10113-10122.
87.Chang，T.M.；Dang，L.X.，MolecularDynamicsSimulationsofCCl4-H2OLiquid-liquidInterfaceWithPolarizablePotentialModels，J.Chem.Phys.1996，104：6772-6783.
88.Dang，L.X.，CharacterizationofWaterOctamer，Decamer，andIodine-WaterInteractionsUsingMolecularDynamicsTechniques，J.Chem.Phys.1999，110：1526-1532.
89.Dang，L.X.，ComputerSimulationStudiesofIonTransportacrossaLiquid/LiquidInterface，J.Phys.
Chem.B1999，103：8195-8200.
90.Dang，L.X.；Feller，D.，MolecularDynamicsStudyofWater-BenzeneInteractionsattheLiquid/VaporInterfaceofWater，J.Phys.Chem.B.2000，104：4403-4407.
91.Hermida-Ramon，J.M.；Rios，M.A.，ANewIntermolecularPolarizablePotentialforaFormaldehydeDimer.ApplicationtoLiquidSimulations，J.Phys.Chem.A1998，102：10818-10827.
92.Mannfors，B.；Palmo，K.；Krimm，S.，ANewElectrostaticModelforMolecularMechanicsForceFields.J.Mol.Struct.2000，556：1-22.
93.Ding，Y.；Bernardo，D.N.；Krogh-Jespersen，K.；Levy，R.M.，SolvationFreeEnergiesofSmallAmidesandAminesfromMolecularDynamics/FreeEnergyPerturbationSimulationsUsingPairwiseAdditiveandMany-bodyPolarizablePotentials.J.Phys.Chem.1995，99，11575-11583.
94.Gresh，N.；EnergeticsofZn2+BindingtoaSeriesofBiologicallyRelevantLigants：aMolecularMechanicsInvestigationGroundedonAbInitioSelf-ConsistentFieldSupermoleculeComputations，J.Comput.Chem.1995，16：856-882.
95.Gresh，N.；Garmer，D.R.，ComparativeBindingEnergeticsofMg2+，Ca2+，Zn2+andCd2+toBiologicallyRelevantLigants：CombinedAbInitioSCFSupermoleculeandMolecularMechanicsInvestigation，J.Comput.Chem.1996，17：1481-1495.
96.Garmer，D.R.；Gresh，N.；Roques，B.P.，ModelingofInhibitor-metalloenzymeInteractionsandSelectivelyUsingMolecularMechanicsGroundedinQuantumChemistry，Proteins1998，31：42-60.
97.Tiraboschi，G.；Roques，B.-P.；Gresh，N.，JointQuantumChemicalandPolarizableMolecularMechanicsInvestigationofFormateComplexeswithPenta-andhexahydratedZn2+.ComparisonbetweenEnergeticsofModelBidentates，Monodentate，andThrough-WaterZn2+BindingModesandEvaluationofNonadditivityEffects，J.Comput.Chem.1999，20：1379-1390.
98.Gresh，N.；Sponer，J.，ComplexesofPentahydratedZn2+withGuanine，Adenine，andtheGuanine-CytosineandAdenine-ThymineBasePairs.StructuresandEnergiesCharaterizedbyPolarizableMolecularMechanicsandAbInitioCalculations，J.Phys.Chem.B1999，103：
11415-11427.
99.Tiraboschi，G.；Gresh，N.；Giessner-Prettre，C.；Pedersen，L.G.；Deerfield，D.W.，ParallelAbInitioandMolecularMechanicsInvestigationofpolycoordinatedZn(II)ComplexeswithModelHardandSoftLigands：VariationsofBindingEnergyandofItsComponentswithNumberandChargesofLigands，J.Comput.Chem.2000，21：1011-1039.
100.Rogalewicz，F.；Ohanessian，G.；Gresh，N.，InteractionofNeutralandZwitterionicGlycinewithZn2+inGasPhase：AbInitioandSIBFAMolecularMechanicsCalculations，J.Comput.Chem.2000，21：963-973.
101.Wang，J.；Cieplak，P.；Kollman，P.A.HowWellDoesaRestrainedElectrostaticPotential(RESP)ModelPerforminConformationalEnergiesofOrganicandBiologicalMolecules，J.Comput.Chem.
2000，21：1049-1074.
102.Meng，E.C.；Caldwell，J.W.；Kollman，P.A.，InvestigatingtheAnomalousSolvationFreeEnergiesofAmineswithaPolarizablePotential，J.Phys.Chem.1996，100：2367-2371.
103.Stern，H.A.；Kaminski，G.A.；Banks，J.L.；Zhou，R.；Berne，B.J.；Friesner，R.A.，FluctuatingCharge，PolarizableDipole，andCombinedModel：ParameterizationfromAbInitioQuantumChemistry，J.Phys.Chem.B1999，103：4730-4737.
104.Banks，J.L.；Kaminski，G.A.；Ruhong，Z.；Mainz，D.T.；Berne，B.J.；Friesner，R.A.ParamitrizingaPolarizableForceFieldfromAbInitioData.I.TheFluctuatingPointChargeModel，J.Chem.
Phys.1999，110：741-754.
105.Kaminski，G.A.；Stern，H，A.；Berne，B.J.；Friesner，R.A.；Yixiang，X.C.；Murphy，R.B.；Ruhong，Z.；Halgren，T.A.，DevelopmentofaPolarizableForceFieldforProteinsviaAbInitioQuantumChemistry：FirstGenerationModelandGasPhaseTests，J.Comput.Chem.2002，23：1515-1531.
106.Gresh，N.；Guo，H.；Salahub，D.R.；Roques，B.P.；Kafafi，S.A.，CriticalRoleofAnisotropyfortheDimerizationenergiesofTwoProtein-proteinRecognitionMotifs：Cis-N-methylacetamideversusaBeta-sheetConformerofAlanineDipeptide.AJointAbInitio，DensityFunctionalTheory，andMolecularMechanicsInvestigation，J.Am.Chem.Soc.1999，121：7885-7894.
107.Dixon，R.W.；Kollman，P.A.，AdvancingbeyondtheAtom-centeredModelinAdditiveandNonadditiveMolecularMechanics，J.Comput.Chem.1997，18：1632-1646.
108.Patel，S.，Brooks，C.L.，III.CHARMMFluctuatingChargeForceFieldforProteins：I.
ParameterizationandApplicationtoBulkOrganicLiquidSimulations，J.Comput.Chem.2004，25：1-15.
109.Patel.S.，Mackerell，A.D.，Jr.，Brooks，C.L.，III.，CHARMMFluctuatingChargeForceFieldforProteins：II.Protein/SolventPropertiesfromMolecularDynamicsSimulationsUsingaNonadditiveElectrostaticModel，J.Comput.Chem.2004，25：1504-1514.
110.Ogawa，T.；Kitao，O.；Kuiita，N.；Sekino，H.；Tanaka，S.，ConsistentChargeEquilibrationMethodCombinedwithUniversalForceField：ApplicationtoAminoAcidMolecules，Chem-Bio.InformaticsJ.2003，3：78-85.
111.Ren，P.；Ponder，J.W.，PolarizableAtomicMultipoleWaterModelforMolecularMechanicsSimulation，J.Phys.Chem.B2003，107：5933.
112.Grossfield，A.；Ren，P.；Ponder，J.W.，IonSolvationThermodynamicsfromSimulationwithaPolarizableForceField，J.Am.Chem.Soc.2003，125：15671.
113.Ren，P.；Ponder，J.W.，ConsistentTreatmentofInter-andIntramolecularPolarizationinMolecularMechanicsCalculations，J.Comput.Chem.2002，23：1497-1505.
114.Thole，B.T.，MolecularPolarizabilitiesCalculatedwithaModifiedDipoleInteraction，Chem.Phys.
1981，59：341.
115.Mulder，F.；vanHemert，M.C.；Wormer，P.E.S.；vanderAvoird，A.，Theor.Chim.Acta.1977，46：
39.
116.vanHemert，M.C.；Blom，C.E.，Mol.Phys.1981，43：229.
117.Btcher，C.F.；Bordewijk，P.，TheoryofElectricPolarization，Elsevier：Amsterdam，1978.