Exploring the conformational dynamics of alanine dipeptide in solution subjected to an external electric field: A nonequilibrium molecular dynamics simulation
Author: | Han Wang, Christof Schütte, Giovanni Ciccotti, Luigi Delle Site |
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Document Type: | Article |
Parent Title (English): | Journal of Chemical Theory and Computation |
Volume: | 10 |
Issue: | 4 |
First Page: | 1376 |
Last Page: | 1386 |
Year of first publication: | 2014 |
DOI: | https://doi.org/10.1186/s12859-017-1565-4 |