A force-field description of short-range repulsions for high density alkane molecular dynamics simulations. - Joseph M. Hayes; James C. Greer; David A. Morton-Blake (J. Comput. Chem., 2004)

Antihypertensive Drug Valsartan in Solution and at the AT1 Receptor: Conformational Analysis, Dynamic NMR Spectroscopy, in Silico Docking, and Molecular Dynamics Simulations. - Constantinos Potamitis; Maria Zervou; Vassilis Katsiaras; Panagiotis Zoumpoulakis; Serdar Durdagi; Manthos G. Papadopoulos; Joseph M. Hayes; Simona Golic Grdadolnik; Ioanna Kyrikou; Dimitris Argyropoulos; Georgia Vatougia; Thomas M. Mavromoustakos (J. Chem. Inf. Model., 2009)