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Molecular Dynamics Simulations Using Temperature-Enhanced Essential Dynamics Replica Exchange

โœ Scribed by Kubitzki, Marcus B.; de Groot, Bert L.

Book ID
119921023
Publisher
Biophysical Society
Year
2007
Tongue
English
Weight
583 KB
Volume
92
Category
Article
ISSN
0006-3495

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## Abstract The present study involves the utilization of replica exchange molecular dynamics (REMD) methodology to explore the conformational space of Neuromedin C (NMC) using implicit (REMD^implicit^) and explicit (REMD^explicit^) water models. Comparison of the structures obtained from these sim