Works (1)
Updated: July 5th, 2023 15:49
2009 article
Adaptively Biased Molecular Dynamics: An Umbrella Sampling Method With a Time-Dependent Potential
Babin, V., Karpusenka, V., Moradi, M., Roland, C., & Sagui, C. (2009, December). INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Vol. 109, pp. 3666–3678.
author keywords: free energy; nonequilibrium; simulation
TL;DR:
The workings of the ABMD method are illustrated with a number of examples, including sugar puckering, and free energy landscapes for polymethionine and polyproline peptides, and for a short -turn peptide.
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