An Application of the Miertus-Scrocco-Tomasi Solvation Model in Molecular Mechanics and Dynamics Simulations. - Alexandre Varnek; Georges Wipff; A. S. Glebov; D. Feil (J. Comput. Chem., 1995)

Theoretical calculations of extraction selectivity: Alkali cation complexes of calix[4]-bis-crown6 in pure water, chloroform, and at a water/chloroform interface. - Alexandre Varnek; Georges Wipff (J. Comput. Chem., 1996)

van der Waals host-guest complexes: Can one predict complexation selectivity of neutral guests by a cryptophane? MD-FEP studies in gas phase and chloroform solution. - Alexandre Varnek; Severine Helissen; Georges Wipff; André Collet (J. Comput. Chem., 1998)

Modeling of Ion Complexation and Extraction Using Substructural Molecular Fragments. - Vitaly P. Solov'ev; Alexandre Varnek; Georges Wipff (J. Chem. Inf. Comput. Sci., 2000)

Macrotricyclic quaternary tetraammonium receptors: Halide anion recognition and interfacial activity at an aqueous interface. A molecular dynamics investigation. - Alain Chaumont; Georges Wipff (J. Comput. Chem., 2002)

Assessment of the Macrocyclic Effect for the Complexation of Crown-Ethers with Alkali Cations Using the Substructural Molecular Fragments Method. - Alexandre Varnek; Georges Wipff; Vitaly P. Solov'ev; A. F. Solotnov (J. Chem. Inf. Comput. Sci., 2002)