New model potentials for sulfur-copper(I) and sulfur-mercury(II) interactions in proteins: From ab initio to molecular dynamics. - Jean-Francois Fuchs; Hristo Nedev; David Poger; Michel Ferrand; Valérie Brenner; Jean-Pierre Dognon; Serge Crouzy (J. Comput. Chem., 2006)

Precise force-field-based calculations of octanol-water partition coefficients for the SAMPL7 molecules. - Shujie Fan; Hristo Nedev; Ranjit Vijayan; Bogdan I. Iorga; Oliver Beckstein (J. Comput. Aided Mol. Des., 2021)