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Self-guided Langevin dynamics simulation method

✍ Scribed by Xiongwu Wu; Bernard R. Brooks

Book ID
118435309
Publisher
Elsevier Science
Year
2003
Tongue
English
Weight
307 KB
Volume
381
Category
Article
ISSN
0009-2614

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## 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