发布求助
文献互助 智能选刊 最新文献

Annual reports in computational chemistry最新文献

筛选
英文 中文
Chapter 12 Principles of G-Protein Coupled Receptor Modeling for Drug Discovery 第12章g蛋白偶联受体模型用于药物发现的原理
Annual reports in computational chemistry Pub Date : 2007-01-01 DOI: 10.1016/S1574-1400(07)03012-5
I. Visiers
{"title":"Chapter 12 Principles of G-Protein Coupled Receptor Modeling for Drug Discovery","authors":"I. Visiers","doi":"10.1016/S1574-1400(07)03012-5","DOIUrl":"https://doi.org/10.1016/S1574-1400(07)03012-5","url":null,"abstract":"","PeriodicalId":88823,"journal":{"name":"Annual reports in computational chemistry","volume":"25 1","pages":"209-227"},"PeriodicalIF":0.0,"publicationDate":"2007-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S1574-1400(07)03012-5","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"56635713","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: 1
Chapter 2 Explicitly Correlated Approaches for Electronic Structure Computations 第二章电子结构计算的显式相关方法
Annual reports in computational chemistry Pub Date : 2006-01-01 DOI: 10.1016/S1574-1400(06)02002-0
Edward F. Valeev
{"title":"Chapter 2 Explicitly Correlated Approaches for Electronic Structure Computations","authors":"Edward F. Valeev","doi":"10.1016/S1574-1400(06)02002-0","DOIUrl":"https://doi.org/10.1016/S1574-1400(06)02002-0","url":null,"abstract":"","PeriodicalId":88823,"journal":{"name":"Annual reports in computational chemistry","volume":"2 1","pages":"19-33"},"PeriodicalIF":0.0,"publicationDate":"2006-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S1574-1400(06)02002-0","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"56634924","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: 4
Chapter 5 Simulations of Temperature and Pressure Unfolding of Peptides and Proteins with Replica Exchange Molecular Dynamics 第五章用分子动力学模拟多肽和蛋白质的温度和压力展开
Annual reports in computational chemistry Pub Date : 2006-01-01 DOI: 10.1016/S1574-1400(06)02005-6
A. Garcia, H. D. Herce, D. Paschek
{"title":"Chapter 5 Simulations of Temperature and Pressure Unfolding of Peptides and Proteins with Replica Exchange Molecular Dynamics","authors":"A. Garcia, H. D. Herce, D. Paschek","doi":"10.1016/S1574-1400(06)02005-6","DOIUrl":"https://doi.org/10.1016/S1574-1400(06)02005-6","url":null,"abstract":"","PeriodicalId":88823,"journal":{"name":"Annual reports in computational chemistry","volume":"2 1","pages":"83-95"},"PeriodicalIF":0.0,"publicationDate":"2006-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S1574-1400(06)02005-6","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"56635351","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: 32
Chapter 10 Cytochrome P450 Enzymes: Computational Approaches to Substrate Prediction 第十章细胞色素P450酶:底物预测的计算方法
Annual reports in computational chemistry Pub Date : 2006-01-01 DOI: 10.1016/S1574-1400(06)02010-X
A. Verras, I. Kuntz, P. R. Montellano
{"title":"Chapter 10 Cytochrome P450 Enzymes: Computational Approaches to Substrate Prediction","authors":"A. Verras, I. Kuntz, P. R. Montellano","doi":"10.1016/S1574-1400(06)02010-X","DOIUrl":"https://doi.org/10.1016/S1574-1400(06)02010-X","url":null,"abstract":"","PeriodicalId":88823,"journal":{"name":"Annual reports in computational chemistry","volume":"2 1","pages":"171-195"},"PeriodicalIF":0.0,"publicationDate":"2006-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S1574-1400(06)02010-X","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"56635451","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: 6
Chapter 3 Hybrid Methods: ONIOM(QM:MM) and QM/MM 第三章混合方法:ONIOM(QM:MM)和QM/MM
Annual reports in computational chemistry Pub Date : 2006-01-01 DOI: 10.1016/S1574-1400(06)02003-2
T. Vreven, K. Morokuma
{"title":"Chapter 3 Hybrid Methods: ONIOM(QM:MM) and QM/MM","authors":"T. Vreven, K. Morokuma","doi":"10.1016/S1574-1400(06)02003-2","DOIUrl":"https://doi.org/10.1016/S1574-1400(06)02003-2","url":null,"abstract":"","PeriodicalId":88823,"journal":{"name":"Annual reports in computational chemistry","volume":"2 1","pages":"35-51"},"PeriodicalIF":0.0,"publicationDate":"2006-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S1574-1400(06)02003-2","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"56635327","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: 154
Chapter 7 Variable Selection QSAR Modeling, Model Validation, and Virtual Screening 第七章变量选择、QSAR建模、模型验证与虚拟筛选
Annual reports in computational chemistry Pub Date : 2006-01-01 DOI: 10.1016/S1574-1400(06)02007-X
A. Tropsha
{"title":"Chapter 7 Variable Selection QSAR Modeling, Model Validation, and Virtual Screening","authors":"A. Tropsha","doi":"10.1016/S1574-1400(06)02007-X","DOIUrl":"https://doi.org/10.1016/S1574-1400(06)02007-X","url":null,"abstract":"","PeriodicalId":88823,"journal":{"name":"Annual reports in computational chemistry","volume":"12379 1","pages":"113-126"},"PeriodicalIF":0.0,"publicationDate":"2006-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S1574-1400(06)02007-X","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"56635381","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: 11
Chapter 8 Machine Learning in Computational Chemistry 第八章计算化学中的机器学习
Annual reports in computational chemistry Pub Date : 2006-01-01 DOI: 10.1016/S1574-1400(06)02008-1
Brian B. Goldman, W. Patrick Walters
{"title":"Chapter 8 Machine Learning in Computational Chemistry","authors":"Brian B. Goldman, W. Patrick Walters","doi":"10.1016/S1574-1400(06)02008-1","DOIUrl":"https://doi.org/10.1016/S1574-1400(06)02008-1","url":null,"abstract":"","PeriodicalId":88823,"journal":{"name":"Annual reports in computational chemistry","volume":"2 1","pages":"127-140"},"PeriodicalIF":0.0,"publicationDate":"2006-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S1574-1400(06)02008-1","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"56635439","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: 28
Chapter 15 Structure-Based Design of New Antibacterial Agents 第十五章新型抗菌剂的结构设计
Annual reports in computational chemistry Pub Date : 2006-01-01 DOI: 10.1016/S1574-1400(06)02015-9
H. Ni, J. Wendoloski
{"title":"Chapter 15 Structure-Based Design of New Antibacterial Agents","authors":"H. Ni, J. Wendoloski","doi":"10.1016/S1574-1400(06)02015-9","DOIUrl":"https://doi.org/10.1016/S1574-1400(06)02015-9","url":null,"abstract":"","PeriodicalId":88823,"journal":{"name":"Annual reports in computational chemistry","volume":"2 1","pages":"279-295"},"PeriodicalIF":0.0,"publicationDate":"2006-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S1574-1400(06)02015-9","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"56635541","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: 3
Chapter 4 On the Selection of Domains and Orbital Pairs in Local Correlation Treatments 第四章关于局部相关处理中域和轨道对的选择
Annual reports in computational chemistry Pub Date : 2006-01-01 DOI: 10.1016/S1574-1400(06)02004-4
H. Werner, K. Pflüger
{"title":"Chapter 4 On the Selection of Domains and Orbital Pairs in Local Correlation Treatments","authors":"H. Werner, K. Pflüger","doi":"10.1016/S1574-1400(06)02004-4","DOIUrl":"https://doi.org/10.1016/S1574-1400(06)02004-4","url":null,"abstract":"","PeriodicalId":88823,"journal":{"name":"Annual reports in computational chemistry","volume":"2 1","pages":"53-80"},"PeriodicalIF":0.0,"publicationDate":"2006-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S1574-1400(06)02004-4","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"56635342","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: 71
Chapter 12 Accelerating Conformational Transitions in Biomolecular Simulations 第十二章加速生物分子模拟中的构象转变
Annual reports in computational chemistry Pub Date : 2006-01-01 DOI: 10.1016/S1574-1400(06)02012-3
D. Hamelberg, J. McCammon
{"title":"Chapter 12 Accelerating Conformational Transitions in Biomolecular Simulations","authors":"D. Hamelberg, J. McCammon","doi":"10.1016/S1574-1400(06)02012-3","DOIUrl":"https://doi.org/10.1016/S1574-1400(06)02012-3","url":null,"abstract":"","PeriodicalId":88823,"journal":{"name":"Annual reports in computational chemistry","volume":"2 1","pages":"221-232"},"PeriodicalIF":0.0,"publicationDate":"2006-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S1574-1400(06)02012-3","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"56635472","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: 6
首页 上一页 下一页 尾页
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整，为了账户安全，请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们：info@booksci.cn Book学术提供免费学术资源搜索服务，方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号：481959085
Book学术官方微信