All-atom empirical force field for nucleic acids: I. Parameter optimization based on small molecule and condensed phase macromolecular target data. - Nicolas Foloppe; Alexander D. MacKerell Jr. (J. Comput. Chem., 2000)

New insights into the structure of abasic DNA from molecular dynamics simulations. - Daniel Barsky; Nicolas Foloppe; Sarah Ahmadia; David M. Wilson III; Alexander D. MacKerell Jr. (Nucleic Acids Res., 2000)

Drug-like Annotation and Duplicate Analysis of a 23-Supplier Chemical Database Totalling 2.7 Million Compounds. - Nicolas Baurin; R. Baker; Christine M. Richardson; I-Jen Chen; Nicolas Foloppe; Andrew Potter; A. Jordan; Stephen D. Roughley; Martin J. Parratt; P. Greaney; D. Morley; Roderick E. Hubbard (J. Chem. Inf. Model., 2004)

Conformational Sampling of Druglike Molecules with MOE and Catalyst: Implications for Pharmacophore Modeling and Virtual Screening. - I-Jen Chen; Nicolas Foloppe (J. Chem. Inf. Model., 2008)

How Thioredoxin Dissociates Its Mixed Disulfide. - Goedele Roos; Nicolas Foloppe; Koen Van Laer; Lode Wyns; Lennart Nilsson; Paul Geerlings; Joris Messens (PLoS Comput. Biol., 2009)

Drug-like Bioactive Structures and Conformational Coverage with the LigPrep/ConfGen Suite: Comparison to Programs MOE and Catalyst. - I-Jen Chen; Nicolas Foloppe (J. Chem. Inf. Model., 2010)

rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids. - Sergio Ruiz-Carmona; Daniel Alvarez-Garcia; Nicolas Foloppe; A. Beatriz Garmendia-Doval; Szilveszter Juhos; Peter Schmidtke; Xavier Barril; Roderick E. Hubbard; S. David Morley (PLoS Comput. Biol., 2014)

Simulations Meet Experiment to Reveal New Insights into DNA Intrinsic Mechanics. - Akli Ben Imeddourene; Ahmad Elbahnsi; Marc Gueroult; Christophe Oguey; Nicolas Foloppe; Brigitte Hartmann (PLoS Comput. Biol., 2015)