Original articles in indexed journals - PharmacoInformatics

Pérez C, Pastor M, Ortiz AR, Gago F. Comparative Binding Energy (COMBINE) Analysis of HIV-1 Protease Inhibitors: Incorporation of Solvent Effects and Validation as a Powerful Tool in Receptor-Based Drug Design. J Med Chem 1998; 41: 836-52.

1998

Original articles in indexed journals - PharmacoInformatics

Centeno NB, Perez JJ A proposed bioactive conformation of peptide T. J Comput Aid Mol Des 1998; 12: 7-14.

1998

Original articles in indexed journals - Structural Bioinformatics

Llorens O, Centeno NB, Filizola M, Spisani S, Marastoni M, Calafell M, Herranz C, Perez JJ. A proposed bioactive form of peptide T and the design of peptidomimetics. Lett Pept Sci 1998; 5: 179-82.

1998

Original articles in indexed journals - Structural Bioinformatics

Filizola M, Centeno NB, Cartení-Farina M, Perez JJ Conformational Analysis of the Highly Potent Bradykinin Antagonist Hoe-140 by Means of Two Different Computational Methods. J Biomol Struct Dyn 1998; 15: 639-52.

1998

Original articles in indexed journals - Computational Biochemistry

González-Lafont A, Villà J, Lluch JM, Bertrán J, Steckler R, Truhlar DG. Variational transition state theory and tunneling calculations with reorientation of the generalized transition states for methyl cation transfer. J Phys Chem A 1998; 102: 3420-8.

1998

Original articles in indexed journals - Computational Biochemistry

Villà J, Corchado JC, González-Lafont A, Lluch JM, Truhlar DG. The explanation of deuterium and muonium kinetic isotope effects for a hydrogen atom addition to an olefin. J Am Chem Soc 1998; 120: 12141-2.

1998

Original articles in indexed journals - Structural Bioinformatics

Alvarez-Santos S, González-Lafont A, Lluch JM, Oliva B, Avilés FX. Theoretical study of the role of arginine 127 in the water-promoted mechanism of peptide clevage by carboxypeptidase A. New J Chem 1998; 22: 319-25.

1998

Original articles in indexed journals - Structural Bioinformatics

Oliva B, Bates PA, Querol E, Avilés FX, Sternberg MJE. Automated Classification of Antibody Complementarity Determining Region 3 of the Heavy Chain (H3) Loops into Canonical Forms and Its Application to Protein Structure Prediction. J Mol Biol 1998; 279: 1193-210.

1998

Original articles in indexed journals - Structural Bioinformatics

Feliu JX, Benito A, Oliva B, Avilés FX, Villaverde A. Conformational Flexibility in a Highly Mobile Protein Loop of Foot-and-Mouth Disease Virus: Distinct Structural Requirements for Integrin- and Antbody-Binding. J Mol Biol 1998; 283: 331-8.

1998

Original articles in indexed journals - Structural Bioinformatics

Mas JM, Aloy P, Martí-Renom MA, Oliva B, Blanco-Aparicio C, Molina MA, De Llorens R, Querol E, Avilés FX. Protein Similarities Beyond Disulphide Bridge Topology. J Mol Biol 1998; 28: 531-8.

1998