Original articles in indexed journals - PharmacoInformatics

Pastor M, Cruciani G, Haaksma EEJ, Fox T, Kastenholz MA. GRID/CPCA: A new computational tool to design selective ligands. J Med Chem 2000; 43: 3033-44.

2000

Original articles in indexed journals - PharmacoInformatics

Pastor M, Cruciani G, McLay I, Pickett S, Clementi S. Grid Independent Descriptors (GRIND). A Novel Class of Alignment-Independent Three-Dimensional Molecular Descriptors. J Med Chem 2000; 43: 3233-43

2000

Original articles in indexed journals - PharmacoInformatics

Cruciani G, Pastor M, Guba W. VolSurf: a new tool for the pharmacokinetic optimization of lead compounds. Eur J Pharm Sci 2000; 11 (2): S29-39.

2000

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 - PharmacoInformatics

Cruciani G, Clementi S, Pastor M. GOLPE-guided region selection. Perspect Drug Discov 1998; 12: 71-86.

1998

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Lozano JJ, López-de-Briñas E, Centeno NB, Guigó R, Sanz F. Three-dimensional modelling of human cytochrome P450 1A2 and its interaction with caffeine and MeIQ. J Comput Aid Mol Des 1997; 11: 395-408.

1997

Original articles in indexed journals - PharmacoInformatics

Nilsson J, Wikström H, Smilde A, Glase S, Pugsley T, Cruciani G, Pastor M, Clementi S. GRID/GOLPE 3D Quantitative Structure-Activity Relationship Study on a Set of Benzamides and Naphthamides, with Affinity for the Dopamine D3 Receptor Subtype. J Med Chem 1997; 40: 833-40.

1997

Original articles in indexed journals - PharmacoInformatics

Ortiz AR, Pastor M, Palomer A, Cruciani G, Gago F, Wade RC. Reliability of Comparative Molecular Field Analysis Models: Effects of Data Scaling and Variable Selection Using a Set of Human Synovial Fluid Phospholipase A2 Inhibitors. J Med Chem 1997; 40: 1136-48.

1997

Original articles in indexed journals - PharmacoInformatics

Pastor M, Cruciani G, Clementi S. Smart Region Definition: A New Way To Improve the Predictive Ability and Interpretability of Three-Dimensional Quantitative Structure-Activity Relationships. J Med Chem 1997; 40: 1455-64.

1997