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Web-Based Computational Chemistry Education with CHARMMing III: Reduction Potentials of Electron Transfer Proteins

A module for fast determination of reduction potentials, E°, of redox-active proteins has been implemented in the CHARMM INterface and Graphics (CHARMMing) web portal (www.charmming.org). The free energy of reduction, which is proportional to E°, is composed of an intrinsic contribution due to the r...

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Detalles Bibliográficos
Autores principales:	Perrin, B. Scott, Miller, Benjamin T., Schalk, Vinushka, Woodcock, H. Lee, Brooks, Bernard R., Ichiye, Toshiko
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Public Library of Science 2014
Materias:	Education
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4110074/ https://www.ncbi.nlm.nih.gov/pubmed/25058418 http://dx.doi.org/10.1371/journal.pcbi.1003739

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