Study on the conformational equilibrium of the alanine dipeptide in water solution by using the averaged solvent electrostatic potential from molecular dynamics methodology

Francisco F. García-Prieto, Ignacio Fdez. Galván, Manuel A. Aguilar, M. Elena Martín: Study on the conformational equilibrium of the alanine dipeptide in water solution by using the averaged solvent electrostatic potential from molecular dynamics methodology. The Journal of Chemical Physics 135, 194502. Noviembre de 2011.

Fuente de la publicación:

Study on the conformational equilibrium of the alanine dipeptide in water solution by using the averaged solvent electrostatic potential from molecular dynamics methodology [1]