Optimizing Non-bonded Interactions of the OPLS Force Field...

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Journal of Chemical Theory and Computation 2018 / 11

Optimizing Non-bonded Interactions of the OPLS Force Field for Aqueous Solutions of Carbohydrates: How to Capture Both Thermodynamics and Dynamics

Jamali, Seyed Hossein, van Westen, Thijs, Moultos, Othonas A., Vlugt, Thijs J. H.
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Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.8b00909
Date:
November, 2018
File:
PDF, 835 KB
english, 2018
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