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231224s2016 xx |||||o 00| ||eng c |
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|a 10.1002/jcc.24348
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|a eng
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|a Hagras, Muhammad A
|e verfasserin
|4 aut
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|a Electron tunneling in proteins program
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|c 2016
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|a Text
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|2 rdacontent
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|a ƒaComputermedien
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|a ƒa Online-Ressource
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|a Date Completed 10.07.2018
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|a Date Revised 10.07.2018
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|a published: Print-Electronic
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|a Citation Status MEDLINE
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|a © 2016 Wiley Periodicals, Inc.
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|a 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
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|a Journal Article
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|a Research Support, N.I.H., Extramural
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|a bc1 complex
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|a electron transfer
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|a electron tunneling
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|a tunneling visualization
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| 650 |
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|a Proteins
|2 NLM
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|a Stuchebrukhov, Alexei A
|e verfasserin
|4 aut
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|i Enthalten in
|t Journal of computational chemistry
|d 1984
|g 37(2016), 15 vom: 05. Juni, Seite 1388-95
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|x 1096-987X
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|g volume:37
|g year:2016
|g number:15
|g day:05
|g month:06
|g pages:1388-95
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|u http://dx.doi.org/10.1002/jcc.24348
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