Yi Jiang, Yang Xie, Jinyong Ying, Dexuan Xie, Zeyun Yu
{"title":"SDPBS Web Server for Calculation of Electrostatics of Ionic Solvated Biomolecules","authors":"Yi Jiang, Yang Xie, Jinyong Ying, Dexuan Xie, Zeyun Yu","doi":"10.1515/mlbmb-2015-0011","DOIUrl":null,"url":null,"abstract":"Abstract The Poisson-Boltzmann equation (PBE) is one important implicit solvent continuum model for calculating electrostatics of protein in ionic solvent. We recently developed a PBE solver library, called SDPBS, that incorporates the finite element, finite difference, solution decomposition, domain decomposition, and multigrid methods. To make SDPBS more accessible to the scientific community, we present an SDPBS web server in this paper that allows clients to visualize and manipulate the molecular structure of a biomolecule, and to calculate PBE solutions in a remote and user friendly fashion. The web server is available on the website https://lsextrnprod.uwm.edu/electrostatics/.","PeriodicalId":34018,"journal":{"name":"Computational and Mathematical Biophysics","volume":"3 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2015-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1515/mlbmb-2015-0011","citationCount":"11","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computational and Mathematical Biophysics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1515/mlbmb-2015-0011","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"Mathematics","Score":null,"Total":0}
引用次数: 11
Abstract
Abstract The Poisson-Boltzmann equation (PBE) is one important implicit solvent continuum model for calculating electrostatics of protein in ionic solvent. We recently developed a PBE solver library, called SDPBS, that incorporates the finite element, finite difference, solution decomposition, domain decomposition, and multigrid methods. To make SDPBS more accessible to the scientific community, we present an SDPBS web server in this paper that allows clients to visualize and manipulate the molecular structure of a biomolecule, and to calculate PBE solutions in a remote and user friendly fashion. The web server is available on the website https://lsextrnprod.uwm.edu/electrostatics/.
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