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PhD Thesis - Integrative Biomedical Informatics - Computational Biochemistry

Fontaine F. Development and Applications of New 3D Molecular Descriptors. Universitat Pompeu Fabra. Director: Villa-Freixa J, Sanz F. 2005

2005

Book chapters - Computational Biochemistry

Warshel, A, Olsson, MHM, and Villà-Freixa. Computer Simulations of Isotope Effects in Enzyme Catalysis. In: Isotope effects in chemistry and biology, edited by Kohen A. & Limbach H.H.. CRC Press, London, pages 621-644

2005

Original articles in indexed journals - Integrative Biomedical Informatics - Computational Biochemistry

Barbany M, Gutierrez-de-Teran H, Sanz F, Villa-Freixa J. Towards a MIP-based alignment and docking in computer-aided drug design. Proteins, 2004; 56: 585-94

2004

Original articles in indexed journals - Computational Biochemistry

Villà-Freixa J. Review of the book: Thermodynamics of Biochemical Reactions. Robert A. Alberty. John Wiley & Sons; 2003. ChemPhysChem 2004; 5: 285-8.

2004

Book chapters - Computational Biochemistry

Warshel A, Olsson MHM, Villa-Freixa J. Computer simulations of isotope effects in enzyme catalysis. En: Kohen A, Limbach HH, eds. In Isotope effects in chemistry and biology. New York: Marcel Dekker- CRC, 2004; 621-644

2004

Book chapters - Integrative Biomedical Informatics - Computational Biochemistry

Barbany M, Villa-Freixa J, Sanz F, Boyer S. Using MIPsim and 3D-QSAR to Study Binding Modes of HERG K+ Channel Inhibitors. In: Aki E, Yalcin I (eds). QSAR & Molecular Modelling in Rational Design of Bioactive Molecules. Ankara: Computer Aided Drug Design & Development Society in Turkey, 2004; 45-46

2004

Original articles in indexed journals - Integrative Biomedical Informatics - Computational Biochemistry

Barbany M, Gutierrez-de-Teran H, Sanz F, Villa-Freixa J, Warshel A. On the generation of catalytic antibodies by transition state analogs. ChemBioChem, 2003; 4: 277-85

2003

Reviews in indexed journals - Structural Bioinformatics - Computational Biochemistry - PharmacoInformatics

Centeno NB, Villa-Freixa J, Oliva B. Teaching structural bioinformatics at the undergraduate level. Biochem Mol Biol Edu, 2003; 31(6): 386-91

2003

Original articles in indexed journals - Computational Biochemistry

Warshel A, Villà J. Comment on Effect of Active Site Mutation Phe93 Trp in the Horse Liver Alcohol Dehydrogenase Enzyme on Catalysis: A Molecular Dynamics Study. J Phys Chem B 2003; 107: 12370-1.

2003

Original articles in indexed journals - Integrative Biomedical Informatics - Computational Biochemistry - PharmacoInformatics

Rodrigo J, Barbany M, Gutierrez-de-Teran H, Centeno NB, de-Caceres M, Dezi C, Fontaine F, Lozano JJ, Pastor M, Villa-Freixa J, Sanz F. Comparison of Biomolecules on the Basis of Molecular Interaction Potentials. J Braz Chem Soc, 2002; 13: 795-9

2002



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