Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Distance in property space

The one-dimensional reaction coordinate was constructed by compilation of 15 properties for each conformation within a trajectory chosen properties were native and nonnative contacts, radius of gyration, end-to-end distance, fraction of a-helix and -sheet content, and various SASA measures.The properties are normalized and then used to calculate a distance in property space between each individual conformation in an unfolding trajectory, /, and that of a structure from a reference ensemble, /, such as the native state ensemble. The distances in the 15-dimensional property space, dp p, were calculated using... [Pg.113]


See other pages where Distance in property space is mentioned: [Pg.88]    [Pg.212]    [Pg.82]   
See also in sourсe #XX -- [ Pg.113 ]




SEARCH



Distance space

Property space

Spacing distances

© 2024 chempedia.info