Remez N, Garcia-Serna R, Vidal D, Mestres J. The In Vitro Pharmacological Profile of Drugs as a Proxy Indicator of Potential In Vivo Organ Toxicities. Chemical Research in Toxicology 2016; 637-648


Garcia-Serna R, Vidal D, Remez N, Mestres J. Large-Scale Predictive Drug Safety: From Structural Alerts to Biological Mechanisms. Chemical Research in Toxicology 2015; 28: 1875-1887



Schmidt F, Amberg A, Mulliner D, Stolte M, Matter H, Hessler G, Dietrich A, Remez N, Garcia-Serna R, Vidal D, Mestres J, Czich A. Computational prediction of off-target related safety liabilities of molecules: Cardiotoxicity, hepatotoxicity and reproductive toxicity. Toxicology Letters 2014; 229 Supplement: S164


Gallastegui E, Marshall B, Vidal D, Sánchez G, Sánchez S, Collado JA, Luque N, Terme JM, Gatell JM, Muñoz E, Mestres J, Verdin E, Jordan A. Combination of Biological Screening in a Cellular Model of Viral Latency with Virtual Screening Identifies Novel Compounds that Reactivate HIV-1. Journal of Virology 2012; 86: 3795-3808

 

Mestres J, Bryant SD, Zamora I, Gasteiger J. Shaping the Future of Safer Innovative Drugs in Europe. Nature Biotechnology 2011; 29: 789-790

 

Vidal D, Garcia-Serna R, Mestres J. Ligand-based approaches to in silico pharmacology. Methods in Molecular Biology 2011; 672: 489-502

 

Garcia-Serna R, Mestres J. Anticipating drug side effects by comparative pharmacology. Expert Opinion on Drug Metabolism & Toxicology 2010; 6: 1253-1263

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Vidal D, Mestres J. In silico receptorome profiling of antipsychotic drugs. Molecular Informatics 2010; 29: 543-551

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Areias FM, Brea JM, Gregori-Puigjané E, Zaki MEA, Carvalho A, Domínguez E, Gutiérrez-de-Terán H, Proença FM, Loza MI, Mestres J. In silico directed chemical probing of the adenosine receptor family. Bioorganic & Medicinal Chemistry 2010; 18: 3043-3052

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Gregori-Puigjané E, Mestres J. A ligand-based approach to mining the chemogenomic space of drugs. Combinatorial Chemistry & High-Throughput Screening 2008; 11: 669-676

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Gregori-Puigjané E, Mestres J. Coverage and bias in chemical library design. Current Opinion in Chemical Biology 2008; 12: 359-365

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