☆ 4.7 Article

Accurate modelling of pyrrolidinium ionic liquids with charge and vdW scaling

JOURNAL OF MOLECULAR LIQUIDS (2023)

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Article Chemistry, Medicinal

Are free energy calculations useful in practice? A comparison with rapid scoring functions for the p38 MAP kinase protein system

DA Pearlman et al.

JOURNAL OF MEDICINAL CHEMISTRY (2001)

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