E. Ibezim, P. Duchowicz, N. Ibezim, M. Sanservino, E. Castro
{"title":"Computer - based modeling in extract sciences research -II. Physics","authors":"E. Ibezim, P. Duchowicz, N. Ibezim, M. Sanservino, E. Castro","doi":"10.4314/JOPHAS.V6I3.48536","DOIUrl":null,"url":null,"abstract":"Molecular modeling has proved an indispensible tool in exact science research utilizing tested computational theories. One important area of application of molecular modeling is in the physics discipline. It has been used extensively in understudying some physics based principles which have often proved difficult to unravel by laboratory experimental studies. Use is made of theories and models like density functional theory, molecular mechanics method, Thomas Fermi model and molecular dynamics. Several computer softwares have been employed in physics-based modeling and include: Ascalaph, BOSS, CHARMM, COSMOS, Ghemical, GROMOS, GROMACS, MDynaMix, NAMD, STR3DI32, TINKER, Zodiac, X-PLOR.","PeriodicalId":16719,"journal":{"name":"Journal of Pharmaceutical and Allied Sciences","volume":"3 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2009-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Pharmaceutical and Allied Sciences","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.4314/JOPHAS.V6I3.48536","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
Molecular modeling has proved an indispensible tool in exact science research utilizing tested computational theories. One important area of application of molecular modeling is in the physics discipline. It has been used extensively in understudying some physics based principles which have often proved difficult to unravel by laboratory experimental studies. Use is made of theories and models like density functional theory, molecular mechanics method, Thomas Fermi model and molecular dynamics. Several computer softwares have been employed in physics-based modeling and include: Ascalaph, BOSS, CHARMM, COSMOS, Ghemical, GROMOS, GROMACS, MDynaMix, NAMD, STR3DI32, TINKER, Zodiac, X-PLOR.
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号
