10.6084/m9.figshare.c.3617384_D1.v1
Emmanuel Sapin
Emmanuel
Sapin
Daniel Carr
Daniel
Carr
Kenneth De Jong
Kenneth
De Jong
Amarda Shehu
Amarda
Shehu
Additional file 3 of Computing energy landscape maps and structural excursions of proteins
Springer Nature
2016
Protein equilibrium dynamics
Multi-state protein
Multi-basin energy landscape
Energy landscape map
Sample-based representation
Evolutionary algorithm
Structural excursion
Mechanical work
Nearest-neighbor graph
Low-cost paths
2016-08-18 05:00:00
Journal contribution
https://springernature.figshare.com/articles/journal_contribution/Additional_file_3_of_Computing_energy_landscape_maps_and_structural_excursions_of_proteins/4382420
Visualization in 2D of map and paths computed for H-Ras G12D. The computed map for the H-Ras G12D variant is projected onto 2D and projections are color-coded by Rosetta score12 energy values. Low-cost paths (costs in REUs are listed) modeling the On âOff structural excursion are also drawn. The projections of experimentally-known structures on the top two PCs are related by showing whether the structures are captured in the wet laboratory for the WT or variants. (PDF 1823 kb)