Modifying the OPLS-AA force field to improve hydration free energies for several amino acid side chains using new atomic charges and an off-plane charge model for aromatic residues.

Mon, 01 Jan 2007 00:00:00 +0100

Zhitao Xu, Harry H. Luo, D. Peter Tieleman:
Modifying the OPLS-AA force field to improve hydration free energies for several amino acid side chains using new atomic charges and an off-plane charge model for aromatic residues. J. Comput. Chem. 28(3): 689-697 (2007)