Ontology highlight
ABSTRACT:
SUBMITTER: Dutagaci B
PROVIDER: S-EPMC6013386 | biostudies-literature | 2018 Jul
REPOSITORIES: biostudies-literature
Dutagaci Bercem B Heo Lim L Feig Michael M
Proteins 20180506 7
A refinement protocol based on physics-based techniques established for water soluble proteins is tested for membrane protein structures. Initial structures were generated by homology modeling and sampled via molecular dynamics simulations in explicit lipid bilayer and aqueous solvent systems. Snapshots from the simulations were selected based on scoring with either knowledge-based or implicit membrane-based scoring functions and averaged to obtain refined models. The protocol resulted in consis ...[more]