๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Large-Scale Conformational Sampling of Proteins Using Temperature-Accelerated Molecular Dynamics

โœ Scribed by Abrams, Cameron F.; Vanden-Eijnden, Eric


Book ID
119206221
Publisher
Biophysical Society
Year
2010
Tongue
English
Weight
72 KB
Volume
98
Category
Article
ISSN
0006-3495

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Application of torsion angle molecular d
โœ Jianhan Chen; Wonpil Im; Charles L. Brooks III ๐Ÿ“‚ Article ๐Ÿ“… 2005 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 542 KB

## Abstract We investigate the application of torsion angle molecular dynamics (TAMD) to augment conformational sampling of peptides and proteins. Interesting conformational changes in proteins mainly involve torsional degrees of freedom. Carrying out molecular dynamics in torsion space does not on

Combination of molecular dynamics method
โœ Tatsuhiko Miyata; Fumio Hirata ๐Ÿ“‚ Article ๐Ÿ“… 2008 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 373 KB ๐Ÿ‘ 1 views

## Abstract We have developed an algorithm for sampling the conformational space of large flexible molecules in solution, which combines the molecular dynamics (MD) method and the threeโ€dimensional reference interaction site model (3Dโ€RISM) theory. The solventโ€induced force acting on solute atoms w

Large-scale comparison of protein essent
โœ Aqeel Ahmed; Saskia Villinger; Holger Gohlke ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 293 KB

## Abstract A largeโ€scale comparison of essential dynamics (ED) modes from molecular dynamic simulations and normal modes from coarseโ€grained normal mode methods (CGNM) was performed on a dataset of 335 proteins. As CGNM methods, the elastic network model (ENM) and the rigid cluster normal mode ana