A. Varnek

Expert System for Predicting Reaction Conditions: The Michael Reaction Case

Gilles Marcou, Diogo A. R. S. Latino, Alessandro De Luca et al. · Journal of Chemical Information and Modeling · 2015 · 91 citations

Natural Sciences, Chemical Engineering, Chemistry +17

Molecular dynamics study of p-tert-butylcalix[4]arenetetraamide and its complexes with neutral and cationic guests. Influence of solvation on structures and stabilities

Philippe Guilbaud, A. Varnek, Georges Wipff · Journal of the American Chemical Society · 1993 · 81 citations

Natural Sciences, Chemistry, Medicinal Chemistry +14

A fast and Space-efficient boundary element method for computing electrostatic and hydration effects in large molecules

Randy J. Zauhar, A. Varnek · Journal of Computational Chemistry · 1996 · 64 citations

Natural Sciences, Biophysics, Chemistry +17

Theoretical calculations of extraction selectivity: Alkali cation complexes of calix[4]-bis-crown6 in pure water, chloroform, and at a water/chloroform interface

A. Varnek, Georges Wipff · Journal of Computational Chemistry · 1996 · 54 citations

Natural Sciences, Chemistry, Computational Chemistry +15

Design of a General‐Purpose European Compound Screening Library for EU‐OPENSCREEN

Dragos Horvath, Michael Lisurek, Bernd Rupp et al. · ChemMedChem · 2014 · 40 citations

Pharmacy, Medicinal Chemistry, Drug Design +16