Original articles in indexed journals - Systems Pharmacology

García-Serna R, Mestres J. Chemical probes for biological systems. Drug Discov Today. 2010; 16; 3-4: 99-106    DOI: 10.1016/j.drudis.2010.11.004.

2010

Original articles in indexed journals - Systems Pharmacology

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 - Systems Pharmacology

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 - Systems Pharmacology

2010

Original articles in indexed journals - Systems Pharmacology - 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

Original articles in indexed journals - Systems Pharmacology

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 - Systems Pharmacology

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 - Systems Pharmacology

Gregori-Puigjané E, Mestres J A ligand-based approach to mining the chemogenomic space of drugs Comb Chem High Throughput Screen. 2008;11;669-76.. PMID: 18795886 .

2008

Original articles in indexed journals - Systems Pharmacology - 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

Original articles in indexed journals - Systems Pharmacology

Gregori-Puigjané E, Mestres J. Coverage and Bias in Chemical Library Design. Curr Opin Chem Biol 2008;12:359-65. PMID: 18423416 . DOI: 10.1016/j.cbpa.2008.03.015.

2008