| Steered molecular dynamics simulations of protein-ligand interactions |
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| 作者姓名： | XU Yechun SHEN Jianhua LUO Xiaomin SHEN Xu CHEN Kaixian & JIANG Hualiang Center for Drug Discovery and Design State Key Laboratory of New Drug Research Shanghai Institute of Materia Medica Shanghai Institutes for Biological Sciences ChineseAcademy of Sciences Shanghai China |
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| 作者单位： | XU Yechun，SHEN Jianhua，LUO Xiaomin，SHEN Xu，CHEN Kaixian & JIANG Hualiang Center for Drug Discovery and Design，State Key Laboratory of New Drug Research，Shanghai Institute of Materia Medica，Shanghai Institutes for Biological Sciences，ChineseAcademy of Sciences，Shanghai 201203，China |
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| 基金项目： | 国家自然科学基金，国家重点基础研究发展计划(973计划)，国家高技术研究发展计划(863计划)，Foundation of Shanghai Ministry of Science and Technology |
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| 摘 要： | Molecular recognition and specific protein-ligandinteractions are central to many biochemical processes,such as enzyme catalysis, assembly of organelles, en-ergy transduction, signaling, diverse control functions,and replication, expression and storage of the geneticmaterial1]. Moreover, protein-ligand interactions pro-vide the mechanism of many drug therapies and un-derstanding of such interactions is thus significant forrational drug design1,2]. For the experimental studiesof protein-ligan…
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Steered molecular dynamics simulations of protein-ligand interactions |
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| XU Yechun,SHEN Jianhua,LUO Xiaomin,SHEN Xu,CHEN Kaixian & JIANG Hualiang Center for Drug Discovery and Design,State Key Laboratory of New Drug Research,Shanghai Institute of Materia Medica,Shanghai Institutes for Biological Sciences,ChineseAcademy of Sciences,Shanghai ,China.Steered molecular dynamics simulations of protein-ligand interactions[J].Science in China(Chemistry),2004,47(5):355-366. |
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| Authors: | XU Yechun Shen Jianhua Luo Xiaomin SHEN Xu CHEN Kaixian JIANG Hualiang |
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| Institution: | Center for Drug Discovery and Design, State Key Laboratory of New Drug Research, Shanghai Institute of Materia Medica, Shanghai;Institutes for Biological Sciences, Chinese Academy of Sciences, Shanghai 201203, China |
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