Jordi Mestres - researchr alias

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Viewing Publication 1 - 23 from 23

2023

2022

2021

Identification of the Core Chemical Structure in SureChEMBL PatentsMaria J. Falaguera, Jordi Mestres. jcisd, 61(5):2241-2247, 2021. [doi]

Extended connectivity interaction features: improving binding affinity prediction through chemical descriptionNorberto Sánchez-Cruz, José L. Medina-Franco, Jordi Mestres, Xavier Barril. bioinformatics, 37(10):1376-1382, 2021. [doi]

2015

Insights from Fragment Hit Binding Assays by Molecular SimulationsNoelia Ferruz, Matthew J. Harvey, Jordi Mestres, Gianni De Fabritiis. jcisd, 55(10):2200-2205, 2015. [doi]

2014

Identification of host interactions for phenotypic antimalarial hitsAndreas Spitzmüller, Jordi Mestres. jcheminf, 6(S-1):12, 2014. [doi]

2013

Chemoisosterism in the ProteomeXavier Jalencas, Jordi Mestres. jcisd, 53(2):279-292, 2013. [doi]

P. falciparum Target Space Relevant to Malaria Drug DiscoveryAndreas Spitzmüller, Jordi Mestres. ploscb, 9(10), 2013. [doi]

2012

2011

Indexing molecules with chemical graph identifiersElisabet Gregori-Puigjané, Rut Garriga-Sust, Jordi Mestres. jcc, 32(12):2638-2646, 2011. [doi]

2010

iPHACE: integrative navigation in pharmacological spaceRicard García-Serna, Oleg Ursu, Tudor I. Oprea, Jordi Mestres. bioinformatics, 26(7):985-986, 2010. [doi]

2006

FCP: functional coverage of the proteome by structuresRicard García-Serna, Lulla Opatowski, Jordi Mestres. bioinformatics, 22(14):1792-1793, 2006. [doi]

SHED: Shannon Entropy Descriptors from Topological Feature DistributionsElisabet Gregori-Puigjané, Jordi Mestres. jcisd, 46(4):1615-1622, 2006. [doi]

Ligand-Based Approach to In Silico Pharmacology: Nuclear Receptor ProfilingJordi Mestres, Lidia Martín-Couce, Elisabet Gregori-Puigjané, Montserrat Cases, Scott Boyer. jcisd, 46(6):2725-2736, 2006. [doi]

2004

Unsupervised guided docking of covalently bound ligandsXavier Fradera, Jasmit Kaur, Jordi Mestres. jcamd, 18(10):635-650, 2004. [doi]

2000

Atomic transferability within the exchange-correlation densityXavier Fradera, Miquel Duran, Jordi Mestres. jcc, 21(15):1361-1374, 2000. [doi]

A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors. 2. The relationship between alignment solutions obtained from conformationally rigid and flexible matchingJordi Mestres, Douglas C. Rohrer, Gerald M. Maggiora. jcamd, 14(1):39-51, 2000. [doi]

1999

A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitorsJordi Mestres, Douglas C. Rohrer, Gerald M. Maggiora. jcamd, 13(1):79-93, 1999. [doi]

1997

MIMIC: A molecular-field matching program. Exploiting applicability of molecular similarity approachesJordi Mestres, Douglas C. Rohrer, Gerald M. Maggiora. jcc, 18(7):934-954, 1997. [doi]

1994

Ab Initio Quantum Molecular Similarity Measures on Metal-Substituted Carbonic Anhydrase (MIICA, M = Be, Mg, Mn, Co, Ni, Cu, Zn, and Cd)Miquel Solà, Jordi Mestres, Miquel Duran, Ramon Carbó. jcisd, 34(5):1047-1053, 1994. [doi]

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