François‐Yves Dupradeau

The R.E.D. tools: advances in RESP and ESP charge derivation and force field library building

François‐Yves Dupradeau, Adrien Pigache, Thomas Zaffran et al. · Physical Chemistry Chemical Physics · 2010 · 872 citations

Molecular dynamics studies of native and substituted cyclodextrins in different media: 1. Charge derivation and force field performances

Christine Cézard, Xavier Trivelli, Frédéric Aubry et al. · Physical Chemistry Chemical Physics · 2011 · 139 citations

R.E.DD.B.: A database for RESP and ESP atomic charges, and force field libraries

François‐Yves Dupradeau, Christine Cézard, Romain Lelong et al. · Nucleic Acids Research · 2007 · 101 citations · Full text

Engineering, Molecular Biology, Computational Chemistry +18

Multi-Mannosides Based on a Carbohydrate Scaffold:  Synthesis, Force Field Development, Molecular Dynamics Studies, and Binding Affinities for Lectin Con A

Sébastien G. Gouin, Enguerran Vanquelef, José M. Garcı́a Fernández et al. · The Journal of Organic Chemistry · 2007 · 73 citations

New Glycoclusters, Bioorganic Chemistry, Glycobiology +17

DNA oligonucleotides with A, T, G or C opposite an abasic site: structure and dynamics

Jingyang Chen, François‐Yves Dupradeau, David A. Case et al. · Nucleic Acids Research · 2007 · 72 citations · Full text