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Enabling grand-canonical Monte Carlo: Extending the flexibility of GROMACS through the GromPy python interface module

, , , , , и . Journal of Computational Chemistry, 33 (12): 1207--1214 (мая 2012)
DOI: 10.1002/jcc.22947

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Jaap Wiegers

Ursula Jaap

Jaap Denissen

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Patrick Ulrich Jaap

 

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