دورية أكاديمية
Performing solvation free energy calculations in LAMMPS using the decoupling approach
العنوان: | Performing solvation free energy calculations in LAMMPS using the decoupling approach |
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المؤلفون: | Khanna, Vikram, Monroe, Jacob I., Doherty, Michael F., Peters, BaronAff2 |
المصدر: | Journal of Computer-Aided Molecular Design: Incorporating Perspectives in Drug Discovery and Design. 34(6):641-646 |
قاعدة البيانات: | Springer Nature Journals |
تدمد: | 0920654X 15734951 |
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DOI: | 10.1007/s10822-020-00303-3 |