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Results 81 - 90 of about 101
Original articles in indexed journals - Computational Biochemistry and Biophysics > Computational Biochemistry
Shurki A, Strajbl M, Villà J, Warshel A. How Much Enzymes Really Gain by Restraining Their Reacting Fragments?. J Am Chem Soc 2002; 124: 4097-107.
2002
Original articles in indexed journals - Computational Biochemistry and Biophysics > Computational Biochemistry
Warshel A, Florián J, Strajbl M, Villà-FreixaJ. Circe Effect versus Enzyme Preorganization: What Can Be Learned from the Structure of the Most Proficient Enzyme. ChemBioChem 2001; 2: 109-11.
2001
Book chapters - Integrative Biomedical Informatics - Computational Biochemistry and Biophysics > Computational Biochemistry
Sanz F, de Caceres M, Villa-Freixa J. Similarity analysis of molecular interaction potential distributions. The MIPSIM software. In: Carbó R, ed. The Fundamentals of Molecular Similarity. New York: Kluwer Academic, 2001; 333-338
2001
Original articles in indexed journals - Computational Biochemistry and Biophysics > Computational Biochemistry
Villà J, Warshel A. Energetics and Dynamics of Enzymatic Reactions. J Phys Chem B 2001; 105: 7887-907.
2001
Original articles in indexed journals - Integrative Biomedical Informatics - Computational Biochemistry and Biophysics > Computational Biochemistry
De Caceres M, Villa-Freixa J, Lozano JJ, Sanz F. MIPSIM: Similarity analysis of molecular interaction potentials. Bioinformatics, 2000; 16: 568-9
2000
Original articles in indexed journals - Computational Biochemistry and Biophysics > Computational Biochemistry
Strajbl M, Sham Yuk Y, Villa-Freixa J, Chu T, Warshel A. Calculations of Activation Entropies of Chemical Reactions in Solutions. Phys. Chem. B, 2000; 104, 4578-84
2000
Original articles in indexed journals - Computational Biochemistry and Biophysics > Computational Biochemistry
Kim J, Corchado JC, Villà J, Xing J, Truhlar DG. Multiconfiguration Molecular Mechanics Algorithm for Potential Energy Surfaces of Chemical Reactions. J Chem Phys 2000; 112: 2718-35.
2000
Original articles in indexed journals - Computational Biochemistry and Biophysics > Computational Biochemistry
Villà J, Bentzien J, Gonzàlez-Lafont A, Lluch JM, Bertran J, Warshel A. Effective Way of Modeling Chemical Catalysis: an Empirical Valence Bond Picture of the Role of Solvent and Catalyst in Alkylation Reactions. J Comput Chem 2000; 21: 607-25.
2000
Original articles in indexed journals - Computational Biochemistry and Biophysics > Computational Biochemistry
Strajbl M, Sham YY, Villà J, Chu ZT, Warshel A. Calculations of Activation Entropies of Chemical Reactions in Solution. J Phys Chem B 2000; 104: 4578-84.
2000
Original articles in indexed journals - Computational Biochemistry and Biophysics > Computational Biochemistry
Glennon TM, Villà J, Warshel A. How Does GAP Catalyze the GTPase Reaction of Ras?: A Computer Simulation Study. Biochemistry 2000; 39: 9641-51.
2000
