Ontology highlight
ABSTRACT:
SUBMITTER: Balabin IA
PROVIDER: S-EPMC3288650 | biostudies-literature | 2012 Mar
REPOSITORIES: biostudies-literature
Balabin Ilya A IA Hu Xiangqian X Beratan David N DN
Journal of computational chemistry 20120201 8
We describe the new Pathways plugin for the molecular visualization program visual molecular dynamics. The plugin identifies and visualizes tunneling pathways and pathway families in biomolecules, and calculates relative electronic couplings. The plugin includes unique features to estimate the importance of individual atoms for mediating the coupling, to analyze the coupling sensitivity to thermal motion, and to visualize pathway fluctuations. The Pathways plugin is open source software distribu ...[more]