招生专业070304-物理化学招生方向：药物筛选与设计，理论与计算物理计算化学和计算生物学教授课程:
2010.10.26化学反应动力学专论分子模拟与设计博士研究生（4课时）2010.5.13SeminarII考核博士研究生（4课时）2009.11.3SeminarII考核博士研究生（4课时）教育背景:1997.9-2000.9:中科院大连化学物理研究所获理学博士学位 1994.9-1997.7:辽宁师范大学化学系，获理学硕士学位 1990.9-1994.7:辽宁师范大学物理系，获理学学士学位工作经历：
2009.3-至今：中科院大连化学物理研究所百人计划研究员、组建分子模拟与设计实验室 2007.1-至今:美国新墨西哥大学兼职教授 2006.3-2009.3:BiogenIdecInc.高级研究科学家，蛋白质工程，化学药物开发，蛋白质改造和药物发现与设计的新方法开发 2004.1-2006.3:哈佛大学医学院博士后，开发了跨膜蛋白质结构预测的新方法 2001.9-2004.1:美国威斯康辛大学-麦迪逊分校博士后，提出了新的QM/MM计算方案，可以准确描述生物大分子与配体识别及反应过程的自由能变化，设计了全新的计算方法，可以在任意一台计算机上多尺度研究任意生物大分子体系的柔性及构象变化 2000.9-2001.9:美国新墨西哥大学博士后，提出和发展了一种快速而准确地计算分子超精细光谱的理论方法
研究领域：蛋白质工程改造与设计、药物发现与设计、计算机辅助分子设计 获得奖项：著作及论文：
发表论文:
Papers(26): 1. HowDoesaSalt-BridgeTransmitPolarizationSignaltoTriggerandAcceleratetheMolecularRecognitionbetweenReceptorandLigandTheoreticalChemistryAccounts(Accepted) 2. InvestigationofFamily18ChitinasesandInhibitorsbyComputer-aidedApproaches.CurrentDrugTargets(Accepted). 3.QinGR,YuKQ,ShiT,LuoC,LiGH,ZhuWL,JiangHL.HowDoesInfluenzaVirusAEscapefromAmantadineJournalofPhysicalChemistryB,114(25):8487-8493(2010). 4.JiaoD,ZhangJJ,DukeRE,LiGH,SchniedersMJ,RenPY.Trypsin-LigandBindingFreeEnergiesfromExplicitandImplicitSolventSimulationswithPolarizablePotential.JOURNALOFCOMPUTATIONALCHEMISTRY,30(11):17011711(2009) 5.DongPP,GeGB,ZhangYY,AiCZ,LiGH,ZhuLL,LuanHW,LiuXB,YangL.Quantitativestructure-retentionrelationshipstudiesfortaxanesincludingepimersandisomericmetabolitesinultrafastliquidchromatography,JOURNALOFCHROMATOGRAPHYA,1216(42):7055-7062(2009) 6.JordanJL,ArndtJW,HanfK,LiGH,HallJ,DemarestS,HuangF(Huang,Flora)3,WuXF,MillerB,GlaserS,FernandezEJ,WangDP,LugovskoyA.StructuralunderstandingofstabilizationpatternsinengineeredbispecificIg-likeantibodymolecules.PROTEINS-STRUCTUREFUNCTIONANDBIOINFORMATICS,77(4):832841(2009) 7.MinDH,LiHZ,LiGH,BergBA,FenleyMO,YangW.EfficientsamplingofionmotionsinmoleculardynamicssimulationsonDNA:VariantHamiltonianreplicaexchangemethod.CHEMICALPHYSICSLETTERS,454(4-6):391-395(2008) 8.MinDH,LiHZ,LiGH,Bitetti-PutzerR,YangW.Synergisticapproachtoimprove"alchemical"freeenergycalculationinruggedenergysurface.JOURNALOFCHEMICALPHYSICS,126(14):144109(2007) 9.LiHZ,LiGH,BergBA,YangW.Finitereservoirreplicaexchangetoenhancecanonicalsamplinginruggedenergysurfaces.JOURNALOFCHEMICALPHYSICS,125(14),144902(2006) 10.RiccardiD,SchaeferP,YangY,YuHB,GhoshN,Prat-ResinaX,KonigP,LiGH,XuDG,GuoH,ElstnerM,CuiQ.Developmentofeffectivequantummechanical/molecularmechanical(QM/MM)methodsforcomplexbiologicalprocesses.JOURNALOFPHYSICALCHEMISTRYB,110:6458-6469(2006) 11.LiGH,CuiQ.Directdeterminationofreactionpathandsaddlepointsonthepotentialofmeanforcesurface.JOURNALOFMOLECULARGRAPHICSANDMODELLING,24(2):82-93(2005) 12.VanWynsbergheA,LiGH,CuiQ.NormalmodeanalysissuggestsproteinflexibilitymodulationthroughoutRNApolymerase’sfunctionalcycle.BIOCHEMISTRY,43(41):13083-13096(2004) 13.CuiQ,LiGH,MaJP,KarplusM.AnormalmodeanalysisofstructuralplasticityinthebiomolecularmotorF1-ATPase.JOURNALOFMOLECULARBIOLOGY,340(2):345-372(2004) 14.RiccardiD,LiGH,CuiQ.importanceofvanderWaalsInteractionsinQM/MMSimulations.JOURNALOFPHYSICALCHEMISTRYB,108(20):6467-6478(2004) 15.LiGH,CuiQ.Mechanochemicalcouplinginmyosin:AtheoreticalanalysiswithmoleculardynamicsandcombinedQM/MMreactionpathcalculations.JOURNALOFPHYSICALCHEMISTRYB,108(10):3342-3357(2004) 16.LiGH,CuiQ.AnalysisoffunctionalmotionsinBrownianmolecularmachineswithanefficientblocknormalmodeapproach:Myosin-IIandCa2+ATPase.BIOPHYSICALJOURNAL,86(2):743-763(2004) 17.LiGH,CuiQ.pK(a)calculationswithQM/MMfreeenergyperturbations.JOURNALOFPHYSICALCHEMISTRYB,107(51):14521-14528(2003) 18.LiGH,CuiQ.WhatissospecialaboutArg55inthecatalysisofcyclophilinAInsightsfromhybridQM/MMsimulations.JOURNALOFTHEAMERICANCHEMICALSOCIETY,125(49):15028-1503(2003) 19.LiGH,ZhangXD,CuiQ.FreeenergyperturbationcalculationswithcombinedQM/MMPotentialscomplications,simplifications,andapplicationstoredoxpotentialcalculations.JOURNALOFPHYSICALCHEMISTRYB,107(33):8643-8653(2003) 20.LiGH,CuiQ.Molecularsimulationsofconformationaldynamicsofmacromolecularassembly.BIOPHYSICALJOURNAL,84(2):360A-360A(2003) 21.LiGH,CuiQ.Acoarse-grainednormalmodeapproachformacromolecules:AnefficientimplementationandapplicationtoCa2+ATPase.BIOPHYSICALJOURNAL,83(5):2457-2474(2002) 22.XuDG,LiGH,XieDQ,GuoH.Full-dimensionalquantumcalculationsofvibrationalenergylevelsofacetylene(HCCH)upto13,000cm(-1).CHEMICALPHYSICSLETTERS,365(5-6):480-486(2002) 23.LiGH,GuoH.ThevibrationallevelspectrumofH2O((X)over-tilde(1)A’)fromthePartridge-Schwenkepotentialuptothedissociationlimit.JOURNALOFMOLECULARSPECTROSCOPY,210(1):90-97(2001) 24.LiSM,LiGH,GuoH.AsingleLanczospropagationmethodforcalculatingtransitionamplitudes.III.S-matrixelementswithacomplex-symmetricHamiltonian.JOURNALOFCHEMICALPHYSICS,115(21):9637-9643(2001) 25.LiGH,GuoH.EfficientcalculationofresonancepositionsandwidthsusingdoubledChebyshevautocorrelationfunctions.CHEMICALPHYSICSLETTERS,347(4-6):443-450(2001) 26.LiGH,GuoH.DoublingofChebyshevcorrelationfunctionforcalculatingnarrowresonancesusinglow-storagefilterdiagonalization.CHEMICALPHYSICSLETTERS,336(1-2):143-148(2001)
发表著作:BookChapter: Normalmodeanalysisofmacromolecules:fromenzymeactivesitetomolecularmachines GuohuiLi,AdamVanWynsberghe,OmarN.A.Demerdash,QiangCuiin"NormalModeAnalysis:TheoryandApplicationstoBiologicalandChemicalSystems",Eds.I.Bahar,CRCPress.2005 承担项目：科研项目:
1、科技部863：针对生命科学、生物医药行业的大规模并行应用软件系统（2010.1-2010.12），348万元 2、国家自然科学基金面上项目：基于多尺度相互作用势和碎片生长法的蛋白质功能预测新方法（2011.1-2013.12），32万元 3、中科院百人计划择优支持（2010-2012），200万元 4、中科院外籍教授特聘研究员计划（2010.1-2010.12），18万元
