Determining equilibrium constants for dimerization reactions from molecular dynamics simulations.

Sat, 01 Jan 2011 00:00:00 +0100

Djurre H. De Jong, Lars V. Schäfer , Alex H. de Vries, Siewert J. Marrink , Herman J. C. Berendsen, Helmut Grubmüller:
Determining equilibrium constants for dimerization reactions from molecular dynamics simulations. J. Comput. Chem. 32(9): 1919-1928 (2011)