Original articles in indexed journals - Structural Bioinformatics

Gargallo R, Oliva B, Querol E, Avilés FX. Effect of the reaction field electrostatic term on the molecular dynamics simulation of the activation domain of procarboxypeptidase B. Protein Eng 2000; 13: 21-6.

2000

Original articles in indexed journals - Structural Bioinformatics

Oliva B, Daura X, Querol E, Avilés FX, Tapia O. A Generalized Langevin Dynamics approach to model solvent dynamics efffects on proteins via solvent-accessible surface. The carboxypeptidase A inhibitor as a model. Theor Chem Acc 2000; 105: 101-9.

2000

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 - 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

Original articles in indexed journals - Structural Bioinformatics

Martí-Renom M, Oliva B, Querol E, Avilés FX. Effects of Ionic Strength and Volume on the Simulated Dynamics of Solvated Proteins. Application to the Activation Domain of Porcine Pancreatic Procarboxypeptidase B. Protein Eng 1998;11: 881-90.

1998

Original articles in indexed journals - Structural Bioinformatics

Martí-Renom M, Mas JM, Aloy P, Querol E, Avilés FX, Oliva B. Statistical Analysis of the loop-geometry on a non-redundant database of proteins. J Mol Model 1998; 4: 347-54.

1998