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

Original articles in indexed journals - Systems Pharmacology

Van Lier G, Cases M, Ewels CP, Taylor R, Geerlings P. Theoretical Study of the Addition Patterns of C60 Fluorination: C60Fn (n=1-60). J Org Chem 2005; 70: 1565-79.. PMID: 15730275 . DOI: 10.1021/jo0483872.

2005

Original articles in indexed journals - Systems Pharmacology

Mestres J. Structure Conservation in Cytochromes P450. Proteins 2005; 58: 596-609.. PMID: 15617063 . DOI: 10.1002/prot.20354.

2005

Original articles in indexed journals - Systems Pharmacology

Cases M, Garcia-Serna R, Hettne K, Weeber M, van der Lei J, Boyer S, Mestres J. Chemical and Biological Profiling of an Annotated Compound Library Directed to the Nuclear Receptor Family. Curr Top Med Chem 2005: 5 (8) 763-72. PMID: 16101416 .

2005

Original articles in indexed journals - Systems Pharmacology

Fradera X, Kaur J, Mestres J. Unsupervised Guided Docking of Covalently-Bound Ligands. J Comput Aided Mol Des 2004; 18: 635-50.. PMID: 15849994 . DOI: 10.1007/s10822-004-5291-4.

2004

Original articles in indexed journals - Systems Pharmacology

Mestres J. Computational Chemogenomics Approaches to Systematic Knowledge-based Drug Discovery. Curr Opin Drug Discov Devel 2004; 7(3): 304-13.. PMID: 15216933 .

2004

Original articles in indexed journals - Systems Pharmacology

Cases M, Van Lier G, Solà M, Durán M, Geerlings P. Quantum Chemical Study of the Reactivity of C60HR and C60(CHR). J Org Chem 2004; 69: 2374-80.. PMID: 15049633 . DOI: 10.1021/jo035652v.

2004

Original articles in indexed journals - Systems Pharmacology

Fradera X, Mestres J. Guided Docking Approaches to Structure-Based Design and Screening. Curr Top Med Chem 2004; 4(7): 687-700.. PMID: 15032682 .

2004