药物设计和蛋白质折叠研究中的计算机模拟方法

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1、中国科学技术大学博士学位论文药物设计和蛋白质折叠研究中的计算机模拟方法姓名：朱江申请学位级别：博士专业：生物化学和分子生物学指导教师：施蕴渝;刘海燕2002.5.1嗍?缈叶AcknowledgementFouryearsago，IjoinedthegroupofProf．ShiYunyu，LaboratoryofStructuralBiology,UniversityofScienceandTechnologyofChina(USTC)．Themore1wasengagedinthefieldofc

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7、antsintheresearchwork，Theyarenotonlyexcellentcollaboratorsbutalsomyclosefriends．2ABSTRACTstructure．basedliganddesignandproteinfoldingbotharechallengingproblemsinthefieldofcomputationalbiophysicsWehaveinvestigatedseveralimportantaspectsoftwotopicsinaser

8、iesofwork．1．Structure—basedliganddesignThegoalofdrugdesignistodiscovernewleadcompoundshavinghighaffinityandspecificitytoapaaicularsite0namacromolecularreceptor．Innaturethesecandidatecompoundsshouldbediscoveredanddevelopedusingrationalme