Ontology highlight
ABSTRACT:
SUBMITTER: Fan H
PROVIDER: S-EPMC1100760 | biostudies-literature | 2005 May
REPOSITORIES: biostudies-literature
Fan Hao H Mark Alan E AE Zhu Jiang J Honig Barry B
Proceedings of the National Academy of Sciences of the United States of America 20050406 19
In this work, we compare the results of molecular dynamics simulations involving the application of three generalized Born (GB) models to 10 different proteins. The three GB models, the Still, HCT, and modified analytical generalized Born models, were implemented in the computationally efficient gromacs package. The performance of each model was assessed from the backbone rms deviation from the native structure, the number of native hydrogen bonds retained in the simulation, and the experimental ...[more]