A fast SHAKE algorithm to solve distance constraint equations for small molecules in molecular dynamics simulations. - Vincent Kräutler; Wilfred F. van Gunsteren; Philippe H. Hünenberger (J. Comput. Chem., 2001)

The GROMOS software for biomolecular simulation: GROMOS05. - Markus Christen; Philippe H. Hünenberger; Dirk Bakowies; Riccardo Baron; Roland Bürgi; Daan P. Geerke; Tim N. Heinz; Mika A. Kastenholz; Vincent Kräutler; Chris Oostenbrink; Christine Peter; Daniel Trzesniak; et al. (J. Comput. Chem., 2005)

An improved nucleic acid parameter set for the GROMOS force field. - Thereza A. Soares; Philippe H. Hünenberger; Mika A. Kastenholz; Vincent Kräutler; Thomas Lenz; Roberto D. Lins; Chris Oostenbrink; Wilfred F. van Gunsteren (J. Comput. Chem., 2005)

A multiple time step algorithm compatible with a large number of distance classes and an arbitrary distance dependence of the time step size for the fast evaluation of nonbonded interactions in molecular simulations. - Vincent Kräutler; Philippe H. Hünenberger (J. Comput. Chem., 2006)