Alexandre Varnek

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10EEIgor V. Tetko, Vitaly P. Solov'ev, Alexey V. Antonov, Xiaojun Yao, Jean-Pierre Doucet, Bo Tao Fan, Frank Hoonakker, Denis Fourches, Piere Jost, Nicolas Lachiche, Alexandre Varnek: Benchmarking of Linear and Nonlinear Approaches for Quantitative Structure-Property Relationship Studies of Metal Complexation with Ionophores. Journal of Chemical Information and Modeling 46(2): 808-819 (2006)
9EEAlan R. Katritzky, Dan C. Fara, Hongfang Yang, Mati Karelson, Takahiro Suzuki, Vitaly P. Solov'ev, Alexandre Varnek: Quantitative Structure-Property Relationship Modeling of beta-Cyclodextrin Complexation Free Energies. Journal of Chemical Information and Modeling 44(2): 529-541 (2004)
8EEAlexandre Varnek, Denis Fourches, Vitaly P. Solov'ev, Vladimir E. Baulin, Alexander N. Turanov, Vasili K. Karandashev, Dan C. Fara, Alan R. Katritzky: "In Silico" Design of New Uranyl Extractants Based on Phosphoryl-Containing Podands: QSPR Studies, Generation and Screening of Virtual Combinatorial Library, and Experimental Tests. Journal of Chemical Information and Modeling 44(4): 1365-1382 (2004)
7EEVitaly P. Solov'ev, Alexandre Varnek: Anti-HIV Activity of HEPT, TIBO, and Cyclic Urea Derivatives: Structure-Property Studies, Focused Combinatorial Library Generation, and Hits Selection Using Substructural Molecular Fragments Method. Journal of Chemical Information and Computer Sciences 43(5): 1703-1719 (2003)
6EEAlexandre Varnek, Georges Wipff, Vitaly P. Solov'ev, A. F. Solotnov: Assessment of the Macrocyclic Effect for the Complexation of Crown-Ethers with Alkali Cations Using the Substructural Molecular Fragments Method. Journal of Chemical Information and Computer Sciences 42(4): 812-829 (2002)
5EEVitaly P. Solov'ev, Alexandre Varnek, Georges Wipff: Modeling of Ion Complexation and Extraction Using Substructural Molecular Fragments. Journal of Chemical Information and Computer Sciences 40(3): 847-858 (2000)
4EEAlexandre Varnek, Severine Helissen, Georges Wipff, André Collet: 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. Journal of Computational Chemistry 19(8): 820-832 (1998)
3EEAlexandre Varnek, Georges Wipff: Theoretical calculations of extraction selectivity: Alkali cation complexes of calix[4]-bis-crown6 in pure water, chloroform, and at a water/chloroform interface. Journal of Computational Chemistry 17(13): 1520-1531 (1996)
2EERandy J. Zauhar, Alexandre Varnek: A fast and Space-Efficient boundary element method for computing electrostatic and hydration effects in large molecules. Journal of Computational Chemistry 17(7): 864-877 (1996)
1 Alexandre Varnek, Georges Wipff, A. S. Glebov, D. Feil: An Application of the Miertus-Scrocco-Tomasi Solvation Model in Molecular Mechanics and Dynamics Simulations. Journal of Computational Chemistry 16(1): 1-19 (1995)

Coauthor Index

1Alexey V. Antonov [10]
2Vladimir E. Baulin [8]
3André Collet [4]
4Jean-Pierre Doucet [10]
5Bo Tao Fan [10]
6Dan C. Fara [8] [9]
7D. Feil [1]
8Denis Fourches [8] [10]
9A. S. Glebov [1]
10Severine Helissen [4]
11Frank Hoonakker [10]
12Piere Jost [10]
13Vasili K. Karandashev [8]
14Mati Karelson [9]
15Alan R. Katritzky [8] [9]
16Nicolas Lachiche [10]
17A. F. Solotnov [6]
18Vitaly P. Solov'ev [5] [6] [7] [8] [9] [10]
19Takahiro Suzuki [9]
20Igor V. Tetko [10]
21Alexander N. Turanov [8]
22Georges Wipff [1] [3] [4] [5] [6]
23Hongfang Yang [9]
24Xiaojun Yao [10]
25Randy J. Zauhar [2]

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Copyright © Sun May 17 03:24:02 2009 by Michael Ley (ley@uni-trier.de)