title: Electron tunneling in proteins program.
abstract: We developed a unique integrated software package (called Electron Tunneling in Proteins Program or ETP) which provides an environment with different capabilities such as tunneling current calculation, semi-empirical quantum mechanical calculation, and molecular modeling simulation for calculation and analysis of electron transfer reactions in proteins. ETP program is developed as a cross-platform client-server program in which all the different calculations are conducted at the server side while only the client terminal displays the resulting calculation outputs in the different supported representations. ETP program is integrated with a set of well-known computational software packages including Gaussian, BALLVIEW, Dowser, pKip, and APBS. In addition, ETP program supports various visualization methods for the tunneling calculation results that assist in a more comprehensive understanding of the tunneling process. © 2016 Wiley Periodicals, Inc.
authors.affiliation: Department of Chemistry, University of California, One Shields Avenue, Davis, California, 95616.
authors.forename: Muhammad A
authors.initials: MA
authors.lastname: Hagras
authors.affiliation: Department of Chemistry, University of California, One Shields Avenue, Davis, California, 95616.
authors.forename: Alexei A
authors.initials: AA
authors.lastname: Stuchebrukhov
mesh_terms: D004579:Electron Transport; D004583:Electrons; D008958:Models, Molecular; D011506:Proteins / Q000737:chemistry*; D011789:Quantum Theory; D012984:Software
chemical_list: D011506:Proteins
keywords: bc1 complex; electron transfer; electron tunneling; tunneling visualization