N. Froloff

Most-cited papers

1. On the calculation of binding free energies using continuum methods: Application to MHC class I protein‐peptide interactions

   N. Froloff, A. Windemuth, B. Honig

   1997Protein Science174 citations Open access

   Semantic Scholar

   Save

2. Fuzzy Tricentric Pharmacophore Fingerprints, 1. Topological Fuzzy Pharmacophore Triplets and Adapted Molecular Similarity Scoring Schemes

   F. Bonachéra, B. Parent, F. Barbosa, N. Froloff +1 more

   2006Journal of Chemical Information and Modeling58 citations Open access

   Semantic Scholar

   Save

3. Development and experimental validation of a docking strategy for the generation of kinase-targeted libraries.

   R. Gozalbes, L. Simon, N. Froloff, E. Sartori +2 more

   2008Journal of Medicinal Chemistry43 citations

   Semantic Scholar

   Save

4. QSAR Modeling of in Vitro Inhibition of Cytochrome P450 3A4

   Boryeu Mao, R. Gozalbes, F. Barbosa, J. Migeon +7 more

   2006Journal of Chemical Information and Modeling35 citations

   Semantic Scholar

   Save

5. Cross-adaptation and molecular modeling study of receptor mechanisms common to four taste stimuli in humans.

   N. Froloff, E. Lloret, J. M. Martinez, A. Faurion

   1998Chemical Sensors31 citations

   Semantic Scholar

   Save

6. Combinatorial chemistry, automation and molecular diversity: new trends in the pharmaceutical industry.

   L. van Hijfte, G. Marciniak, N. Froloff

   1999Journal of Chromatography B: Biomedical Sciences and Applications29 citations

   Semantic Scholar

   Save

7. Structure activity relationship by NMR and by computer: a comparative study.

   F. Sirockin, C. Sich, S. Improta, M. Schaefer +4 more

   2002Journal of the American Chemical Society19 citations

   Semantic Scholar

   Save

8. Development and Validation of a Pharmacophore‐Based QSAR Model for the Prediction of CNS Activity

   R. Gozalbes, F. Barbosa, E. Nicolaï, D. Horvath +1 more

   2009ChemMedChem17 citations

   Semantic Scholar

   Save

9. QSAR Strategy and Experimental Validation for the Development of a GPCR Focused Library

   R. Gozalbes, Catherine Rolland, E. Nicolaï, Marie-France Paugam +6 more

   20059 citations

   Semantic Scholar

   Save

10. Construction of a Homogeneous and Informative In vitro Profiling Database for Anticipating the Clinical Effects of Drugs

    N. Froloff, V. Hamon, P. Dupuis, A. Otto-Bruc +3 more

    20067 citations

    Semantic Scholar

    Save

11. Multidimensional Fitting for Multivariate Data Analysis

    C. Berge, N. Froloff, R. Kalathur, M. Maumy +3 more

    2010J. Comput. Biol.6 citations

    Semantic Scholar

    Save

12. Probing drug action using in vitro pharmacological profiles.

    N. Froloff

    2005Trends in Biotechnology6 citations

    Semantic Scholar

    Save

13. The BioPrint® Approach for the Evaluation of ADMET Properties: Application to the Prediction of Cytochrome P450 2D6 Inhibition

    R. Gozalbes, F. Barbosa, N. Froloff, D. Horvath

    20072 citations

    Semantic Scholar

    Save

14. Molecular Modelling Approach to the Structure of Taste Receptor Sites

    N. Froloff, A. Faurion, P. Leod

    19941 citations

    Semantic Scholar

    Save

15. Pharmacophore Modeling of Sweet and Bitter Tasting Molecules

    N. Froloff

    20080 citations

    Semantic Scholar

    Save

16. Fuzzy Tricentric Pharmacophore Fingerprints. Part 1. Topological Fuzzy Pharmacophore Triplets and Adapted Molecular Similarity Scoring Schemes.

    F. Bonachéra, B. Parent, F. Barbosa, N. Froloff +1 more

    20070 citations

    Semantic Scholar

    Save