人物簡介
侯廷軍:湖南常德人。1997年北京大學化學與分子工程學院獲理學學士學位，保送本校化學與分子工程學院碩博連讀，2002年獲得博士學位。攻讀博士學位期間，在徐筱傑教授的指導下從事化學信息學和計算機輔助藥物設計方面的研究，論文題目《計算機輔助藥物分子設計方法研究》。2002年至2004在北京大學化學與分子工程學院從事兩年博士後研究；之後在加州大學聖迭戈分校化學與生物學系從事生物信息學和計算生物學研究。2009.2加入蘇州大學功能納米與軟物質(材料)實驗室，被聘為教授，博士生導師。
研究領域
1.藥物設計方法研究：發展計算蛋白質和小分子結合能的半經驗預測方法，發展快速熵效應計算方法。在發展結合能的半經驗預測方法的同時發展蛋白質和小分子的分子對接方法，並開發具有自主智慧財產權且計算準確的分子對接程式。基於人工智慧以及統計建模等領域的最新技術，進行基於分子結構的ADMET預測方法的研究，繼續改進和發展幾種重要但難度較大ADMET性質的預測模型。
2.計算生物學和生物信息學研究：發展基於分子動力學模擬、自由能計算、自由能分解以及統計分析的蛋白質/多肽以及蛋白質/蛋白質相互作用預測方法研究。研究的重點是預測通過蛋白質結構域（SH3,SH2,WW以及PDZ）介導的蛋白質/蛋白質相互作用網路。
3.藥物設計中重要問題的研究：研究藥物設計和開發中的重要問題，尤其是藥物的抗藥性問題。採用分子動力學、自由能計算等理論方法研究與愛滋病、流感以及C型肝炎相關靶點中由單點或多點突變所導致的抗藥性的機制。發展抗藥性的定量預測模型，基於理論預測和化學生物學實驗，設計具有較好抗藥性特性的先導化合物。
4.基於重要靶點的藥物設計研究：結合計算機輔助藥物分子設計方法以及化學生物學實驗，開展與癌症和C型肝炎相關的重要靶點的藥物設計研究，力爭發現具有較好活性的先導化合物。
5.基於傳統中藥資源的藥物設計研究：發展包含傳統中藥方劑、中草藥信息以及化合物成分在內的中藥資源專家系統。採用計算機輔助藥物分子設計方法，從中藥資源專家系統中確定能抑制重要靶點的活性分子。結合化學生物實驗（主要是中草藥分離提取以及生物活性測試），從中草藥中發現治療重要疾病的先導化合物。
主要成果
共發表SCI收錄雜誌論文100餘篇，合作出版論著《計算機輔助藥物分子設計》、《化學統計學》、《FrontierinMedicinalChemistry》和《AnnualReportsinComputationalChemistry》4部，參與世界著名計算機輔助藥物分子設計多媒體教材《MolecularConceptorcourseware》編寫工作；以主要撰寫人編寫的《計算機輔助藥物分子設計》一書已成為國內相關專業研究生最重要的教材和專業參考書之一，具有廣泛的影響。發表論文和著作被他人引用800餘次，H-指數為19。從2004至今受邀為國際雜誌（CurrentMedicinalChemistry,CurrentPharmaceuticalDesign,ExpertOpiniononDrugMetabolismandToxicology,CombinatorialChemistry&HighThroughputScreening,CurrentComputer-AidedDrugDesign）撰寫綜述性論文8篇。擔任國際雜誌CombinatorialChemistry&HighThroughputScreening客座編委和多個國內外重要雜誌的審稿人，包括JournalofMedicinalChemistry,JournalofPhysicalChemistryB,MolecularPharmaceutics,Expertreviewofclinicalpharmacology,ExpertOpiniononDrugMetabolism&Toxicology,ChemMedChem,Proteins,Bioorganic&MedicinalChemistryletters,JournalofPharmacyandPharmacology,BiomarkerInsights,MedicinalChemistry,中國科學、化學學報以及物化學報等等。
近年主要在計算生物學、生物信息學、化學信息學和藥物分子設計等領域從事研究工作。在耐藥性預測中，申請人和其合作者發展了一種基於貝葉斯統計模型的耐藥性分析方法；該工作首次把生物信息學分析和分子模擬進行了很好的結合併用於耐藥性的研究，研究論文以並列第一作者在PNAS發表後，引起了很大的關注，ScienceDaily、UCSDNewsCenter和TheHarvardCrimson等媒體進行了專訪和報導，認為這是耐藥性研究領域的重大進展。在生物信息學和計算生物學方面，發展了基於殘基/殘基能量（MIEC）分解，偏最小二乘（PLS）以及支持向量機（SVM）的能較為準確地預測蛋白質結構域和多肽之間相互作用的MIEC-PLS和MIEC-SVM模型；該方法首次把自由能計算和傳統生物信息學方法進行了較好地結合，對於蛋白質結構域的專一性的研究以及揭示基於蛋白質結構域家族的蛋白質/蛋白質相互作用網路具有重要的意義。
在分子模擬方面，發展了MORTC++模板庫；基於MORT，發展了新一代的分子結構處理模組gleap，MORT和gleap被著名的分子模擬軟體包AMBER10所採用。在化學信息學和藥物設計方面，採用傳統統計方法以及人工智慧方法發展了一系列基於分子結構的藥代動力學性質（ADME）預測模型和資料庫；水溶性預測模型被著名分子模擬軟體系統MOE採用，腦血屏障資料庫被著名ADME專家系統KnowItAll採用，生物利用度資料庫被QSARWorldChallenge2008用作為競賽的標準數據。多種預測模型和資料庫被國際大型藥物公司廣泛使用。此外，在定量構效關係、藥效團模型、計算機輔助藥物分子設計以及分子篩和高分子模擬等領域也做了大量的工作。
獎勵和榮譽
2008，全國高校自然科學二等獎（排名第二）。
2003，北京大學優秀博士論文
2003，博士後科學基金一等資助金（全國化學類唯一獲得者）
2001，北京大學創新獎
2000，北京大學研究生學術十傑
2002，中國大學生建昊獎學金
1999，北京大學光華獎學金
1.TingjunHou*,JunmeiWang,YouyongLi*,Recentprogressofinsilicopredictionsoforalbioavailability,CombinatorialChemistry&HighThroughputScreening,2010,(inpreparation)
2.JunmeiWang,TingjunHou,Advancesofcomputationalpredictionsofsolubility,CombinatorialChemistry&HighThroughputScreening,2010,(inpreparation)
3.YouyongLi,TingjunHou*,WilliamA.GoddardIII*,Molecularmodelingofstructure-functionofGProtein-CoupledReceptorswithapplicationsfordrugdesign,CurrentMedicinalChemistry,2010,17,1167-1180.
4.TingjunHou*,YongyongLi,WeiZhang,JunmeiWang,Insilicopredictionsofintestinalabsorptionandbioavailability,CombinatorialChemistry&HighThroughputScreening,2009,12,497-506.
5.TingjunHou*,JunmeiWang,Structure–ADMErelationship:stillalongwaytogo?ExpertOpiniononDrugMetabolismandToxicology,2009,4,759-771.
6.TingjunHou,JunmeiWang,WeiZhang,WeiWang,XiaojieXu,Recentadvancesincomputationalpredictionofdrugabsorptionandpermeabilityindrugdiscovery,CurrentMedicinalChemistry,2006,13,2653-2667.
7.JunmeiWang,TingjunHou,XiaojieXu,Recentadvancesinfreeenergycalculationswithacombinationofmolecularmechanicsandcontinuummodels,CurrentComputer-AidedDrugDesign,2006,2,287-306.
8.TingjunHou,XiaojieXu,Recentdevelopmentandapplicationofvirtualscreeningindrugdiscovery:anoverview,CurrentPharmaceuticalDesign,2004,10,1011-1033.
代表性論文
1.JingZhang†,TingjunHou†(並列第一作者),WeiWang,JunS.Liu,ABayesianmethodfordetectingcombinatorialmutationpatternsresponsibleforHIVdrugresistance,ProceedingsoftheNationalAcademyofSciences,2010,107,1321-1326.
(ScienceDaily,UCSDNewsCenter,TheHarvardCrimson等媒體進行了專訪和報導)
2.WeiCui,Zhuo,Wei,QuanChen,YuanhuaChen,LinglingGeng,JiangZhang,JianhuaChen*,TingjunHou*,MingjuanJi*,Structure-baseddesignofpeptideswithcytotoxicityontumorcells,JournalofChemicalInformationandModeling,2010,50,380-387.
3.TingjunHou,ZhengXu,WeiZhang,WilliamA.McLaughlin,DavidA.Case,YangXu,WeiWang,Characterizationofdomain-peptideinteractioninterface:agenericstructure-basedmodeltodecipherthebindingspecificityofSH3domains,Molecular&CellularProteomics,2009,8,639-649.
4.TingjunHou,WeiZhang,JianWang,WeiWang,ThepredictionofHIV-1proteasedrugresistancebyanalyzingtheprotease/drugdecomposedinteractionenergycomponents,Proteins:Structure,Function,andBioinformatics,2009,74,837-846.
5.TingjunHou,WeiZhang,CaseA.David,WeiWang,Characterizationofdomain-peptideinteractioninterface:Acasestudyontheamphiphysis-1SH3domain,JournalofMolecularBiology,2008,376,1201-1214.
6.TingjunHou,WilliamMcLaughlin,WeiWang,EvaluatingthepotencyofHIV-1proteasedrugstocombatresistance,Proteins:Structure,Function,andBioinformatics,2008,71,1163-1174.
7.TingjunHou*,JunmeiWang,YouyongLi,ADMEevaluationindrugdiscovery.8.Thepredictionofintestinalabsorptionbyasupportvectormachine,JournalofChemicalInformationandModeling,2007,47,2408-2415.
8.TingjunHou*,YonYu,Moleculardynamicsandfreeenergystudiesonthewild-typeanddoublemutantHIV-1proteasecomplexedwithamprenavirandtwoamprenavir-relatedinhibitors:mechanismforbindinganddrugresistance,JournalofMedicinalChemistry,2007,50,1177-1188.
9.TingjunHou*,JunmeiWang,WeiZhang,XiaojieXu,ADMEevaluationindrugdiscovery.7.Predictionoforalabsorptionbycorrelationandclassification.JournalofChemicalInformationandModeling,2007,47,208-218.
(Thispaperisthe6thmostassessedarticleofJCIMin2007)
10.TingjunHou*,JunmeiWang,WeiZhang,XiaojieXu,ADMEevaluationindrugdiscovery.6.Iftheoralbioavailabilityinhumancanbeeffectivelypredictedbysimplemolecularproperties-basedrules?JournalofChemicalInformationandModeling,2007,47,460-463.
(Thispaperisthe10thmostassessedarticleofJCIMin2007)
11.TingjunHou,KenChen,WilliamMcLaughlin,BenzhuoLu,WeiWang,AnalysisandpredictionofpeptidebindingpartnersoftheAblSH3domain.PLoSComputationalBiology,2006,2,0046-0055.
(ThispaperwasrecommendedbyFacultyBiologyof1000)
12.TingjunHou,WilliamMcLaughlin,BenzhuoLu,KenChen,WeiWang,PredictionofBindingAffinitiesbetweentheHumanAmphiphysin-1SH3DomainandItsPeptideLigandsUsingHomologyModeling,MoleculardynamicsandMolecularFieldAnalysis.JournalofProteomeResearch,2006,5,32-43.
13.TingjunHou,WeiZhang,KeXia,XiaojieXu,ADMEevaluationindrugdiscovery.5.CorrelationofCaco-2permeationwithsimplemolecularproperties,JournalofChemicalInformationandComputerSciences,2004,44,1585-1600.
(Thispaperisthe11thmostassessedarticleofJCICSin2004)
14.TingjunHou,KeXia,WeiZhang,XiaojieXu,ADMEevaluationindrugdiscovery.4.Predictionofaqueoussolubilitybasedonatomcontributionapproach,JournalofChemicalInformationandComputerSciences,2004,44,266-275.
(Thispaperisthe10thmostassessedarticleofJCICSin2004)
15.TingjunHou,LiliZhu,LirongChen,XiaojieXu,MappingtheBindingSiteofaLargeSetofQuinazolineTypeEGF-RInhibitorsUsingMolecularFieldAnalysesandMolecularDockingStudies,JournalofChemicalInformationandComputerSciences,2003,43,273-287.
16.TingjunHou,XiaojieXu,ADMEEvaluationinDrugDiscovery.2.PredictionofPartitionCoefficientbyAtom-additiveApproachBasedonAtom-weightedSolventAccessibleSurfaceAreas,JournalofChemicalInformationandComputerSciences,2003,43,1058-1067.
17.TingjunHou,XiaojieXu,ADMEEvaluationinDrugDiscovery.3.ModelingBlood-BrainBarrierPartitioningUsingSimpleMolecularDescriptors.JournalofChemicalInformationandComputerSciences,2003,43,2137-2152.
18.TingjunHou,XiaojieXu,Predictionsofbindingofadiversesetofligandstogelatinase-Abyacombinationofmoleculardynamicsandcontinuumsolventmodels,JournalofPhysicalChemistryB,2002,106,5527-5535.
19.TingjunHou,XiaojieXu,Empiricalaqueoussolvationmodelsbasedonaccessiblesurfaceareaswithimplicitelectrostatics,JournalofPhysicalChemistryB,2002,106,11295-11304.
20.TingjunHou,XiaojieXu,Moleculardockingsimulationsofagroupofgelatinase-ainhibitorsusingmoleculardynamics,JournalofComputer-aidedMolecularDesign,2002,16,27-41.
21.TingjunHou,XiaojieXu,ADMEEvaluationinDrugDiscovery.1.ApplicationsofGeneticAlgorithmsonthePredictionofBlood-brainPartitioningofaLargeSetDrugsfromStructurallyDerivedDescriptors,JournalofMolecularModeling,2002,8337-349.
22.TingjunHou,XiaojieXu,Anewmolecularsimulationsoftwarepackage–PekingUniversityDrugDesignSystem(PKUDDS)forstructure-baseddrugdesign,JournalofMolecularGraphicsandModeling,2001,19,455-465.
23.TingjunHou,WeiZhang,XiaojieXu,Bindingaffinitiesforaseriesofselectiveinhibitorsofgelatinase-Ausingmoleculardynamicswithalinearresponsemethod,JournalofPhysicalChemistryB,2001,105,5304-5315.
24.TingjunHou,XiaojieXu,TheabsorptionofaseriesofaromaticsinITQ-1:GrandCanonicalMonteCarlosimulations,JournalofMolecularCatalysisA:Chemical,2001,171,103-114.
25.TingjunHou,XiaojieXu,Three-Dimensionalquantitativestructureactivityrelationshipanalysisofsomecinnamamides,ChemometricsandIntelligentLaboratory,2001,56,123-132.
26.TingjunHou,ZhengmingLi,JieLiu,XiaojieXu,Three-dimensionalquantitativestructureactivityrelationshipanalysisofthenewpotentsulfonaylureasusingComparativeMolecularSimilarityIndicesAnalysis(CoMSIA),JournalofChemicalInformationandComputerSciences,2000,40,1002-1009.
27.TingjunHou,LiliZhu,XiaojieXu,AdsorptionanddiffusionofbenzeneinITQ-1typezeolite:GrandCanonicalMonteCarloandmoleculardynamicssimulationstudy,JournalofPhysicalChemistryB,2000,104,9356-9364.
28.TingjunHou,YuAn,BinggenRu,BiRuchang,XiaojieXu,Cysteine-indepentpolymerizationofmetallothoneinsinsolutionsandcrystals,ProteinScience,2000,9,2302-2312.
29.TingjunHou,JunmeiWang,XiaojieXu,Automaticdockingofpeptidesandproteinsusingahybridmethodcombinedwithgeneticalgorithmandtabusearch,ProteinEngineering,1999,12,639-647.
30.TingjunHou,JunmeiWang,NingLiao,XiaojieXu,Applicationsofgeneticalgorithmsonthestructure-activityrelationshipsanalysisofsomecinnamamides,JournalofChemicalInformationandComputerSciences,1999,39,775-781.
著作章節
1.JunmeiWang,TingjunHou,RecentAdvancesoninsilicoADMEModeling,AnnualReportsinComputationalChemistry,Elsevier,Volume5,2009,101-107.
2.TingjunHou,XuXiaojie,Recentdevelopmentandapplicationofvirtualscreeningindrugdiscovery:AnOverview.inFrontierinMedicinalChemistry,BenthamSciencePublishers,Vol3,2006,675-703.
3.《化學統計學》，主編：羅緒，科學出版社，2002年，(編者之一，16章)
4.《計算機輔助藥物設計設計：原理，方法和套用》，徐筱傑，侯廷軍，喬學斌和章威編著，化學出版社，2004年。
5.MolecularConceptorcourseware,SynergixLtd.2008.(Contributingthechapter:introductiontochemoinformatics)
