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Analytically defined surfaces to analyze molecular interaction properties 用于分析分子相互作用性质的解析定义表面
Journal of molecular graphics Pub Date : 1996-12-01 DOI: 10.1016/S0263-7855(97)00008-8
R.R. Gabdoulline, R.C. Wade
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引用次数: 49
Chem-X/INVENTORY now available 化学x /库存现已可用
Journal of molecular graphics Pub Date : 1996-12-01 DOI: 10.1016/S0263-7855(96)90042-9
{"title":"Chem-X/INVENTORY now available","authors":"","doi":"10.1016/S0263-7855(96)90042-9","DOIUrl":"https://doi.org/10.1016/S0263-7855(96)90042-9","url":null,"abstract":"","PeriodicalId":73837,"journal":{"name":"Journal of molecular graphics","volume":"14 6","pages":"Pages 385-386"},"PeriodicalIF":0.0,"publicationDate":"1996-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S0263-7855(96)90042-9","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91597033","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: 0
Computer simulation of polymer-colloid mixtures 聚合物-胶体混合物的计算机模拟
Journal of molecular graphics Pub Date : 1996-12-01 DOI: 10.1016/S0263-7855(97)89623-3
{"title":"Computer simulation of polymer-colloid mixtures","authors":"","doi":"10.1016/S0263-7855(97)89623-3","DOIUrl":"https://doi.org/10.1016/S0263-7855(97)89623-3","url":null,"abstract":"","PeriodicalId":73837,"journal":{"name":"Journal of molecular graphics","volume":"14 6","pages":"Page 379"},"PeriodicalIF":0.0,"publicationDate":"1996-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S0263-7855(97)89623-3","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91685849","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: 0
A theoretical study of CC bond formation in the methanol to gasoline process: The role of water C甲醇制汽油过程中C键形成的理论研究:水的作用
Journal of molecular graphics Pub Date : 1996-12-01 DOI: 10.1016/S0263-7855(97)89621-X
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引用次数: 0
Molecular mechanics study of organometallic complexes in crystalline silica matrices using the ESFF forcefield 晶体二氧化硅基质中金属有机配合物的分子力学研究
Journal of molecular graphics Pub Date : 1996-12-01 DOI: 10.1016/S0263-7855(97)89630-0
{"title":"Molecular mechanics study of organometallic complexes in crystalline silica matrices using the ESFF forcefield","authors":"","doi":"10.1016/S0263-7855(97)89630-0","DOIUrl":"https://doi.org/10.1016/S0263-7855(97)89630-0","url":null,"abstract":"","PeriodicalId":73837,"journal":{"name":"Journal of molecular graphics","volume":"14 6","pages":"Page 381"},"PeriodicalIF":0.0,"publicationDate":"1996-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S0263-7855(97)89630-0","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89988677","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: 0
Structure and properties of cycloolefinic polymers: Simulation and experiment 环烯烃聚合物的结构与性能:模拟与实验
Journal of molecular graphics Pub Date : 1996-12-01 DOI: 10.1016/S0263-7855(97)89626-9
{"title":"Structure and properties of cycloolefinic polymers: Simulation and experiment","authors":"","doi":"10.1016/S0263-7855(97)89626-9","DOIUrl":"https://doi.org/10.1016/S0263-7855(97)89626-9","url":null,"abstract":"","PeriodicalId":73837,"journal":{"name":"Journal of molecular graphics","volume":"14 6","pages":"Page 380"},"PeriodicalIF":0.0,"publicationDate":"1996-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S0263-7855(97)89626-9","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89989173","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: 0
Synopsys and informix form strategic partnership 新思科技与informix结成战略合作伙伴关系
Journal of molecular graphics Pub Date : 1996-12-01 DOI: 10.1016/S0263-7855(96)90036-3
{"title":"Synopsys and informix form strategic partnership","authors":"","doi":"10.1016/S0263-7855(96)90036-3","DOIUrl":"https://doi.org/10.1016/S0263-7855(96)90036-3","url":null,"abstract":"","PeriodicalId":73837,"journal":{"name":"Journal of molecular graphics","volume":"14 6","pages":"Pages 383-384"},"PeriodicalIF":0.0,"publicationDate":"1996-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S0263-7855(96)90036-3","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89989176","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: 0
New appointments at Cherwell Scientific 查威尔科学公司的新任命
Journal of molecular graphics Pub Date : 1996-12-01 DOI: 10.1016/S0263-7855(96)90052-1
{"title":"New appointments at Cherwell Scientific","authors":"","doi":"10.1016/S0263-7855(96)90052-1","DOIUrl":"https://doi.org/10.1016/S0263-7855(96)90052-1","url":null,"abstract":"","PeriodicalId":73837,"journal":{"name":"Journal of molecular graphics","volume":"14 6","pages":"Pages 387-388"},"PeriodicalIF":0.0,"publicationDate":"1996-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S0263-7855(96)90052-1","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90001926","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
MDMovie: A molecular dynamics viewing tool MDMovie:一个分子动力学查看工具
Journal of molecular graphics Pub Date : 1996-10-01 DOI: 10.1016/S0263-7855(96)00079-3
Jerry P. Greenberg
{"title":"MDMovie: A molecular dynamics viewing tool","authors":"Jerry P. Greenberg","doi":"10.1016/S0263-7855(96)00079-3","DOIUrl":"10.1016/S0263-7855(96)00079-3","url":null,"abstract":"<div><p>The graphics program MDMovie (Molecular Dynamics Movie), written in C using IRIS GL graphics library calls, is designed to facilitate the visualization and interpretation of empirical force field data. MDMovie was created and initially adapted in accord with the needs of physical chemists and thereafter became an expandable analysis tool. Capabilities include the display of chemical structure, animation of molecular dynamics and Monte Carlo trajectories, and the visual representation of various vector and scalar dynamical properties. In addition to being a research tool, MDMovie has features for creating presentation videos and hardcopy output. A library is also available for linking to Fortran simulation codes running on a remote machine and connecting to MDMovie via a socket connection. MDMovie continues to be an ongoing research project and new features are actively being added in collaboration with various research groups. Future plans include porting to OpenGL and the design of an X11-based user interface.</p></div>","PeriodicalId":73837,"journal":{"name":"Journal of molecular graphics","volume":"14 5","pages":"Pages 287-290"},"PeriodicalIF":0.0,"publicationDate":"1996-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S0263-7855(96)00079-3","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"20047259","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
A molecular model of the carbohydrate recognition domain of a rat macrophage lectin and analysis of its binding site 大鼠巨噬细胞凝集素碳水化合物识别结构域的分子模型及其结合位点分析
Journal of molecular graphics Pub Date : 1996-10-01 DOI: 10.1016/S0263-7855(96)00075-6
Jürgen Bajorath
{"title":"A molecular model of the carbohydrate recognition domain of a rat macrophage lectin and analysis of its binding site","authors":"Jürgen Bajorath","doi":"10.1016/S0263-7855(96)00075-6","DOIUrl":"10.1016/S0263-7855(96)00075-6","url":null,"abstract":"<div><p>A three-dimensional model of the carbohydrate recognition domain of a rat macrophage C-type lectin has been constructed by comparative modeling and assessed by inverse folding analysis. Comparative modeling in the presence of low sequence similarity was based on information provided by comparison of X-ray structures and sequence-structure alignments. The sequence-structure compatibility of the model was sound. Its binding site was analyzed in comparison to the X-ray structure of a galactose-specific mutant of the mannose-binding protein. The specificity of the macrophage lectin was discussed in light of mutagenesis data on asialoglycoprotein receptors.</p></div>","PeriodicalId":73837,"journal":{"name":"Journal of molecular graphics","volume":"14 5","pages":"Pages 297-301"},"PeriodicalIF":0.0,"publicationDate":"1996-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S0263-7855(96)00075-6","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"20047261","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: 0
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