Calculation of the water-cyclohexane transfer free energies of neutral amino acid side-chain analogs using the OPLS all-atom force field

Justin L. MacCallum, D. Peter Tieleman. Calculation of the water-cyclohexane transfer free energies of neutral amino acid side-chain analogs using the OPLS all-atom force field. Journal of Computational Chemistry, 24(15):1930-1935, 2003. [doi]

Abstract

Abstract is missing.