Original articles in indexed journals - Structural Bioinformatics - Systems Pharmacology

van Mulligen EM, Cases M, Hettne K, Molero E, Weeber M, Robertson KA, Oliva B, de la Calle G, Maojo V. Training Multidisciplinary Biomedical Informatics Students: Three Years of Experience. J Am Med Inf Assoc 2008;15(2):246-254. PMID: 18096914 . DOI: 10.1197/jamia.M2488.

2008

Original articles in indexed journals - Systems Pharmacology

Hettne K, Cases M, Boyer S, Mestres J. Connecting Small Molecules to Nuclear Receptor Pathways. Curr Top Med Chem 2007; 7:1530-6. PMID: 17897040 .

2007

Original articles in indexed journals - Systems Pharmacology

Ekins S, Mestres J, Testa B. In Silico Pharmacology for Drug Discovery: Methods for Virtual Ligand Screening and Profiling. Br J Pharmacol 2007;152:9-20. PMID: 17549047 . DOI: 10.1038/sj.bjp.0707305.

2007

Original articles in indexed journals - Systems Pharmacology

Hettne K, de Mos M, de Bruijn AGJ, Weeber M, Boyer S, van Mulligen EM, Cases M, Mestres J, van der Lei J. Applied information retrieval and multidisciplinary research: new mechanistic hypotheses in complex regional pain syndrome. J Biomed Discov Collab 2007; 2:2.. PMID: 17480215 .

2007

Original articles in indexed journals - Systems Pharmacology

García-Serna R, Opatowski L, Mestres J. FCP: Functional Coverage of the Proteome by Structures. Bioinformatics 2006; 22: 1792-3. PMID: 16705012 . DOI: 10.1093/bioinformatics/btl188.

2006

Original articles in indexed journals - Systems Pharmacology

Mestres J, Martín-Couce L, Gregori-Puigjané E, Cases M, Boyer S. A Ligand-based Approach to In Silico Pharmacology: Nuclear Receptor Profiling. J Chem Inf Model 2006; 46: 2725-36. PMID: 17125212 . DOI: 10.1021/ci600300k.

2006

Original articles in indexed journals - Systems Pharmacology

Gregori-Puigjané E, Mestres J. SHED: Shannon Entropy Descriptors from Topological Feature Distributions. J Chem Inf Model 2006; 46: 1615-22. PMID: 16859293 . DOI: 10.1021/ci0600509.

2006

Original articles in indexed journals - Systems Pharmacology

Mestres J. Putting Molecular Similarity into Context: Asymmetric Indices for Field-based Similarity Measures. J Math Chem 2006; 39 (1): 107-18 DOI: 10.1007/s10910-005-9007-3.

2006

Original articles in indexed journals - Systems Pharmacology

Mestres, J. Representativity of target families in the Protein Data Bank: impact for family-directed structure-based drug discovery. Drug Discov Today 2005; 10 (23/24): 1629-37.. PMID: 16376823 . DOI: 10.1016/S1359-6446(05)03593-2.

2005

Original articles in indexed journals - Systems Pharmacology

Cooper A, Nutley M, MacLean E, Cameron K, Fielding L, Mestres J, Palin R. Mutual Induced Fit in Cyclodextrin-Rocuronium Complexes. Org Biomol Chem 2005; 3: 1863-71.. PMID: 15889169 . DOI: 10.1039/b415903a.

2005