Original articles in indexed journals - Chemogenomics

Areias FM, Brea J, Gregori-Puigjané E, Zaki MEA, Carvalho MA, Domínguez E, Gutiérrez-de-Terán H, Proença MF, Loza MI, Mestres J. In silico directed chemical probing of the adenosine receptor family. Bioorg Med Chem, 2010; 18; 9; 3043-3052   . PMID: 20382540 . DOI: 10.1016/j.bmc.2010.03.048.

2010

Original articles in indexed journals - Chemogenomics

Queralt-Rosinach N, Mestres J. A canonical cation-pi interaction stabilizes the agonist conformation of estrogen-like nuclear receptors. Eur. Biophys. J. 2010, 39, 1471-1475. PMID: 20364341 .

2010

Original articles in indexed journals - Chemogenomics

Garcia-Serna R, Ursu O, Oprea TI, Mestres J. iPHACE: Integrative navigation in pharmacological space. Bioinformatics 2010; 26: 985-986 . PMID: 20156991 .

2010

PhD Thesis - Chemogenomics

Garcia R. Biochemoinformatics: integrative computational tools at the interface between chemistry and biology. Universitat Pompeu Fabra. Director: Mestres J. 2010

2010

Other - Chemogenomics

Vogt I, Mestres J. Drug-target networks. Mol Inform, 2010; 29: 10-14

2010

Original articles in indexed journals - Chemogenomics

Mestres J, Gregori-Puigjané E. Conciliating binding efficiency and polypharmacology. Trends Pharmacol Sci. 2009. Sep;30(9):470-4. PMID: 19717193 . DOI: 10.1016.

2009

Original articles in indexed journals - Chemogenomics - Complex Systems

Mestres J, Gregori-Puigjané E, Valverde S, Solé R. The topology of drug-target interaction networks: implicit dependence on drug properties and target families. Mol BioSyst. 2009 Sep;5(9):1051-7.. PMID: 19668871 . DOI: 10.1039/b905821b.

2009

Reviews in indexed journals - Chemogenomics

Cases M, Mestres J. A chemogenomic approach to drug discovery: focus on cardiovascular diseases. Drug Discov Today. 2009 May;14(9-10):479-85. PMID: 19429507 . DOI: 10.1016.

2009

Original articles in indexed journals - Chemogenomics

Osuna S, Morera J, Cases M, Morokuma K, Solà M. Diels-Alder Reaction between Cyclopentadiene and C(60): An Analysis of the Performance of the ONIOM Method for the Study of Chemical Reactivity in Fullerenes and Nanotubes. J Phys Chem A 2009; 113(35): 9721-9726. . PMID: 19663407 . DOI: 10.1021.

2009

Original articles in indexed journals - Chemogenomics - Complex Systems

Mestres J, Gregori-Puigjané E, Valverde S, Solé RV. Data Completeness - the Achilles Heel of Drug-Target Networks. Nat Biotechnol 2008; 26:983-84.. PMID: 18779805 . DOI: 10.1038/nbt0908-983.

2008