{"title":"Rapid estimation of relative binding affinities of enzyme inhibitors","authors":"M. Reddy, V. N. Viswanadhan, M. Erion","doi":"10.1023/A:1027203803887","DOIUrl":"https://doi.org/10.1023/A:1027203803887","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"9 1","pages":"85-98"},"PeriodicalIF":0.0,"publicationDate":"2002-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1023/A:1027203803887","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"57288393","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}
{"title":"A Priori Prediction of Ligand Affinity by Energy Minimization","authors":"M. Holloway","doi":"10.1023/A:1027251719816","DOIUrl":"https://doi.org/10.1023/A:1027251719816","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"27 1","pages":"63-84"},"PeriodicalIF":0.0,"publicationDate":"2002-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1023/A:1027251719816","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"57288775","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}
{"title":"Molecular Dynamics Simulations: A Tool for Drug Design","authors":"D. Rognan","doi":"10.1023/A:1027268223451","DOIUrl":"https://doi.org/10.1023/A:1027268223451","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"9 1","pages":"181-209"},"PeriodicalIF":0.0,"publicationDate":"2002-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1023/A:1027268223451","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"57288840","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}
{"title":"Bioisosterism and molecular diversity","authors":"Robert D Clark, A. M. Ferguson, R. Cramer","doi":"10.1023/A:1027220307521","DOIUrl":"https://doi.org/10.1023/A:1027220307521","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"9 1","pages":"213-224"},"PeriodicalIF":0.0,"publicationDate":"2002-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1023/A:1027220307521","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"57288678","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}
{"title":"Calculation of Structural Similarity by the Alignment of Molecular Electrostatic Potentials","authors":"D. Thorner, D. Wild, P. Willett, P. M. Wright","doi":"10.1023/A:1027228509338","DOIUrl":"https://doi.org/10.1023/A:1027228509338","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"9 1","pages":"301-320"},"PeriodicalIF":0.0,"publicationDate":"2002-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1023/A:1027228509338","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"57289037","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}
{"title":"Similarity and Dissimilarity: A Medicinal Chemist’s View","authors":"H. Kubinyi","doi":"10.1023/A:1027221424359","DOIUrl":"https://doi.org/10.1023/A:1027221424359","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"9 1","pages":"225-252"},"PeriodicalIF":0.0,"publicationDate":"2002-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1023/A:1027221424359","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"57288385","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}
{"title":"Progress in Force-Field Calculations of Molecular Interaction Fields and Intermolecular Interactions","authors":"T. Liljefors","doi":"10.1007/0-306-46857-3_1","DOIUrl":"https://doi.org/10.1007/0-306-46857-3_1","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"9 1","pages":"3-17"},"PeriodicalIF":0.0,"publicationDate":"2002-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/0-306-46857-3_1","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51336538","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}
Pub Date : 2002-01-01DOI: 10.1007/0-306-46857-3_14
A. Ghose, J. Wendoloski
{"title":"Pharmacophore Modelling: Methods,Experimental Verification and Applications","authors":"A. Ghose, J. Wendoloski","doi":"10.1007/0-306-46857-3_14","DOIUrl":"https://doi.org/10.1007/0-306-46857-3_14","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"1 1","pages":"253-271"},"PeriodicalIF":0.0,"publicationDate":"2002-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/0-306-46857-3_14","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51336566","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}
Pub Date : 2002-01-01DOI: 10.1007/0-306-46857-3_20
A. M. Ferguson, D. Turner, P. Willett
{"title":"EVA: A Novel Theoretical Descriptor for QSAR Studies","authors":"A. M. Ferguson, D. Turner, P. Willett","doi":"10.1007/0-306-46857-3_20","DOIUrl":"https://doi.org/10.1007/0-306-46857-3_20","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"9 1","pages":"381-398"},"PeriodicalIF":0.0,"publicationDate":"2002-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/0-306-46857-3_20","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51336984","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}
{"title":"Combination of molecular similarity measures using data fusion","authors":"Claire M. R. Ginn, P. Willett, John Bradshaw","doi":"10.1007/0-306-46883-2_1","DOIUrl":"https://doi.org/10.1007/0-306-46883-2_1","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"20 1","pages":"1-16"},"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_1","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51338730","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}
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