Improving Efficiency in SMD Simulations Through a Hybrid...

Journal of Chemical Theory and Computation 2014 / 10 Vol. 10; Iss. 10

Improving Efficiency in SMD Simulations Through a Hybrid Differential Relaxation Algorithm

Ramírez, Claudia L., Zeida, Ari, Jara, Gabriel E., Roitberg, Adrián E., Martí, Marcelo A.
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Volume:
10
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct500672d
Date:
October, 2014
File:
PDF, 608 KB
english, 2014
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