PhD Thesis - Systems Pharmacology

Remez N. Drug design at biological systems level. University Pompeu Fabra. Thesis Director: Mestres J. February 8, 2016.

2016

Original articles in indexed journals - Systems Pharmacology

Baumann K, Ecker GF, Mestres J, Schneider G. Molecular Informatics: From Models to Systems and Beyond. Mol Inf, 2016; 35 (1): 2-2 DOI: 10.1002/minf.201680133.

2016

Original articles in indexed journals - Systems Pharmacology

Rubio-Perez C, Tamborero D, Schroeder MP, Antolin AA, Deu-Pons J, Perez-Llamas C, Mestres J, Gonzalez-Perez A, Lopez-Bigas N. In silico prescription of anticancer drugs to cohorts of 28 tumor types reveals novel targeting opportunities. Cancer Res, 2015; 75 (22): 1 DOI: 10.1158/1538-7445.TRANSCAGEN-A1-45.

2015

Original articles in indexed journals - Systems Pharmacology - Computational Science

Ferruz N, Harvey M, Mestres J, de Fabritiis G. Insights from Fragment Hit Binding Assays by Molecular Simulations. J Chem Inf Model, 2015; 55 (10): 2200-2205 . PMID: 26376295 . DOI: 10.1021/acs.jcim.5b00453 OCT 2015.

2015

Original articles in indexed journals - Systems Pharmacology

Garcia-Serna R, Vidal D, Remez N, Mestres J. Large Scale Predictive Drug Safety: From Structural Alerts to Biological Mechanisms. Chem Res Toxicol, 2015; 28 (10): 1875-1887 . PMID: 26360911 . DOI: 10.1021/ acs.chemrestox. 5b00260.

2015

Original articles in indexed journals - Systems Pharmacology

Rubio-Perez C, Tamborero D, Schroeder MP, Antolin A, Deu-Pons J, Perez-Llamas C, Mestres J, Gonzalez-Perez A, Lopez-Bigas N. In Silico Prescription of Anticancer Drugs to Cohorts of 28 Tumor Types Reveals Targeting Opportunities. Cancer Cell, 2015; 27; 3: 319-321 . PMID: 25759023 . DOI: 10.1016/j.ccell.2015.02.007.

2015

Original articles in indexed journals - Systems Pharmacology

Baumann K, Ecker GF, Mestres J, Schneider G. Systems Approaches and Big Data in Molecular Informatics. Mol Inf, 34 (1): 2-2 DOI: 10.1002/minf.201580131 JAN 2015.

2015

Original articles in indexed journals - Systems Pharmacology

Antolin A, Mestres J. Distant Polypharmacology among MLP Chemical Probes. ACS Chem Biol, 2014;10 (2): 395-400
. PMID: 25365788 . DOI: 10.1021/cb500393m.

2014

PhD Thesis - Systems Pharmacology

Antolín A. The impact of polypharmacology on chemical biology. Universitat Pompeu Fabra. October 9th, 2014. Thesis Director: Mestres J.

2014

Original articles in indexed journals - Systems Pharmacology

Schmidt F, Amberg A, Mulliner D, Stolte M, Matter H, Hessler G, Dietrich A, Remez N, Vidal D, Mestres J, Czich A. Computational prediction of off-target related safety liabilities of molecules: Cardiotoxicity, hepatotoxicity and reproductive toxicity. Toxicol Let, 229 S164-S164; S DOI: 10.1016/j.toxlet.2014.06.564 SEP 10 2014.

2014