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Perspectives in drug discovery and design : PD3最新文献

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Hydrophobicity maps and docking of molecular fragments with solvation 疏水性图和分子片段与溶剂化的对接
Perspectives in drug discovery and design : PD3 Pub Date : 2000-12-01 DOI: 10.1007/0-306-46883-2_9
N. Majeux, Marco Carsi, C. Tenette-Souaille, A. Caflisch
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引用次数: 3
Generating consistent sets of thermodynamic and structural data for analysis of protein-ligand interactions 为蛋白质-配体相互作用的分析生成一致的热力学和结构数据集
Perspectives in drug discovery and design : PD3 Pub Date : 2000-12-01 DOI: 10.1007/0-306-46883-2_3
T. Davies, J. Tame, R. Hubbard
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引用次数: 5
Multiple molecular superpositioning as an effective tool for virtual database screening 多分子叠加作为虚拟数据库筛选的有效工具
Perspectives in drug discovery and design : PD3 Pub Date : 2000-12-01 DOI: 10.1007/0-306-46883-2_4
C. Lemmen, Marc Zimmermann, Thomas Lengauer
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引用次数: 7
Predicting binding modes, binding affinities and ‘hot spots’ for protein-ligand complexes using a knowledge-based scoring function 使用基于知识的评分函数预测蛋白质配体复合物的结合模式，结合亲和力和“热点”
Perspectives in drug discovery and design : PD3 Pub Date : 2000-12-01 DOI: 10.1007/0-306-46883-2_8
H. Gohlke, M. Hendlich, G. Klebe
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引用次数: 78
Computer-assisted synthesis and reaction planning in combinatorial chemistry 组合化学中的计算机辅助合成和反应计划
Perspectives in drug discovery and design : PD3 Pub Date : 2000-12-01 DOI: 10.1007/0-306-46883-2_14
J. Gasteiger, M. Pförtner, M. Sitzmann, Robert Höllering, O. Sacher, T. Kostka, Norbert Karg
{"title":"Computer-assisted synthesis and reaction planning in combinatorial chemistry","authors":"J. Gasteiger, M. Pförtner, M. Sitzmann, Robert Höllering, O. Sacher, T. Kostka, Norbert Karg","doi":"10.1007/0-306-46883-2_14","DOIUrl":"https://doi.org/10.1007/0-306-46883-2_14","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"20 1","pages":"245-264"},"PeriodicalIF":0.0,"publicationDate":"2000-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51339064","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 31
A recursive algorithm for efficient combinatorial library docking 一种高效组合库对接的递归算法
Perspectives in drug discovery and design : PD3 Pub Date : 2000-12-01 DOI: 10.1007/0-306-46883-2_5
M. Rarey, Thomas Lengauer
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引用次数: 20
Similarity versus docking in 3D virtual screening 三维虚拟筛选中的相似性与对接
Perspectives in drug discovery and design : PD3 Pub Date : 2000-12-01 DOI: 10.1007/0-306-46883-2_11
J. Mestres, R. Knegtel
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引用次数: 22
Modifications of the scoring function in FlexX for virtual screening applications 修改了FlexX中用于虚拟筛选应用程序的评分功能
Perspectives in drug discovery and design : PD3 Pub Date : 2000-12-01 DOI: 10.1007/0-306-46883-2_6
M. Stahl
{"title":"Modifications of the scoring function in FlexX for virtual screening applications","authors":"M. Stahl","doi":"10.1007/0-306-46883-2_6","DOIUrl":"https://doi.org/10.1007/0-306-46883-2_6","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"20 1","pages":"83-98"},"PeriodicalIF":0.0,"publicationDate":"2000-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/0-306-46883-2_6","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51339174","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 21
Virtual screening with solvation and ligand-induced complementarity 溶剂化和配体诱导互补的虚拟筛选
Perspectives in drug discovery and design : PD3 Pub Date : 2000-12-01 DOI: 10.1023/A:1008737207775
V. Schnecke, L. Kuhn
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引用次数: 159
A knowledge-based scoring function for protein-ligand interactions: Probing the reference state 蛋白质-配体相互作用的基于知识的评分功能:探测参考状态
Perspectives in drug discovery and design : PD3 Pub Date : 2000-12-01 DOI: 10.1007/0-306-46883-2_7
I. Muegge
{"title":"A knowledge-based scoring function for protein-ligand interactions: Probing the reference state","authors":"I. Muegge","doi":"10.1007/0-306-46883-2_7","DOIUrl":"https://doi.org/10.1007/0-306-46883-2_7","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"20 1","pages":"99-114"},"PeriodicalIF":0.0,"publicationDate":"2000-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/0-306-46883-2_7","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51339229","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 107
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