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Replica Exchange of Self-Guided Langevin Dynamics Simulation

✍ Scribed by Wu, Xiongwu; Hodoscek, Milan; Brooks, Bernard R.

Book ID
119210181
Publisher
Biophysical Society
Year
2012
Tongue
English
Weight
36 KB
Volume
102
Category
Article
ISSN
0006-3495

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πŸ“œ SIMILAR VOLUMES

Comparison between self-guided Langevin
Comparison between self-guided Langevin dynamics and molecular dynamics simulations for structure refinement of protein loop conformations
✍ Mark A. Olson; Sidhartha Chaudhury; Michael S. Lee πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 687 KB

## Abstract This article presents a comparative analysis of two replica‐exchange simulation methods for the structure refinement of protein loop conformations, starting from low‐resolution predictions. The methods are self‐guided Langevin dynamics (SGLD) and molecular dynamics (MD) with a Nosé–Hoov