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Efficient database screening for rational drug design using pharmacophore-constrained conformational search

机译：使用药效团限制的构象搜索进行有效药物合理设计的有效数据库筛选

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《International conference on Computational molecular biology;Annual international conference on Computational molecular biology》|1999年|P.250-260|共11页
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作者
Steven M. LaValle; Paul W. Finn; Lydia E. Kavraki; Jeal-Claude Latombe;
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原文格式 PDF
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中图分类计算技术、计算机技术;
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专利

1. A Randomized Kinematics-Based Approach to Pharmacophore-Constrained Conformational Search and Database Screening [J] . LAVALLE STEVEN M. Journal of Computational Chemistry: Organic, Inorganic, Physical, Biological . 2000,第9期

机译：基于随机运动学的药理学约束构象搜索和数据库筛选方法
2. 3D descriptors calculation and conformational search to investigate potential bioactive conformations, with application in 3D-QSAR and virtual screening in drug design [J] . Tomich de Paula da Silva Carlos Henrique, Taft Carlton Anthony Journal of Biomolecular Structure and Dynamics . 2017,第13a14期

机译：3D描述符计算和构象搜索以调查潜在的生物活性构象，在3D-QSAR和虚拟筛选中的应用中的应用
3. Rational drug design: the search for ras protein hydrolysis intermediate conformation inhibitors with both affinity and specificity. [J] . Xiliang Zheng, Zuojia Liu, Dan Li, Current pharmaceutical design . 2013,第12期

机译：合理的药物设计：寻找具有亲和力和特异性的ras蛋白水解中间体构象抑制剂。
4. Search techniques for rational drug design [C] . Finn P.W., Kavraki L.E., Latombe J.C., Intelligent Information Systems, 1997. IIS '97. Proceedings . 1997

机译：合理药物设计的搜索技术
5. Finding Computed Diamonds in a Virtual Rough: Screening and Evaluation of Conformations and Energetics from Drug Discovery to Computational Enzyme Design. [D] . Johnson, Scott Arne. 2013

机译：在虚拟的毛坯中找到计算钻石：从药物发现到计算酶设计的构象和能量学的筛选和评估。
6. Conformationally Homogeneous Heterocyclic Pseudo-Tetrapeptides as Three-Dimensional Scaffolds for Rational Drug Design: Mapping the Structural Basis Set and Application to the Design of Receptor-Selective Somatostatin Analogues [O] . Mr. John M. Beierle, Dr. W. Seth Horne, Prof. Dr. Jan H. van Maarseveen, -1

机译：构象均一的杂环伪四肽作为三维支架用于合理的药物设计：映射结构基础集并将其应用于受体选择性生长抑素类似物的设计
7. Efficient Database Screening for Rational Drug Design Using Pharmacophore-Constrained Conformational Search [O] . Steven M. Lavalle, Paul W. Finn, Lydia E. Kavraki, 1999

机译：使用药典约束的构象搜索进行合理药物设计的有效数据库筛选

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