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pro vyhledávání: '"Vahe M. Grigorian"'
Publikováno v:
Molecules, Vol 28, Iss 3, p 925 (2023)
Hydration free energies of small molecules are commonly used as benchmarks for solvation models. However, errors in predicting hydration free energies are partially due to the force fields used and not just the solvation model. To address this, we ha
Externí odkaz:
https://doaj.org/article/0d0841f4598a4c3bb53b4d1c0bd7c6a3