Works matching AU Cereto, Adrià

Results: 18

Haste makes waste: A critical review of docking‐based virtual screening in drug repurposing for SARS‐CoV‐2 main protease (M‐pro) inhibition.

Published in:

Medicinal Research Reviews, 2022, v. 42, n. 2, p. 744, doi. 10.1002/med.21862

By:

Macip, Guillem;
Garcia‐Segura, Pol;
Mestres‐Truyol, Júlia;
Saldivar‐Espinoza, Bryan;
Ojeda‐Montes, María José;
Gimeno, Aleix;
Cereto‐Massagué, Adrià;
Garcia‐Vallvé, Santiago;
Pujadas, Gerard

Publication type:

Article

Activity and selectivity cliffs for DPP‐IV inhibitors: Lessons we can learn from SAR studies and their application to virtual screening.

Published in:

Medicinal Research Reviews, 2018, v. 38, n. 6, p. 1874, doi. 10.1002/med.21499

By:

Ojeda‐Montes, María José;
Gimeno, Aleix;
Tomas‐Hernández, Sarah;
Cereto‐Massagué, Adrià;
Beltrán‐Debón, Raúl;
Valls, Cristina;
Mulero, Miquel;
Pujadas, Gerard;
Garcia‐Vallvé, Santiago

Publication type:

Article

DecoyFinder: an easy-to-use python GUI application for building target-specific decoy sets.

Published in:

Bioinformatics, 2012, v. 28, n. 12, p. 1661, doi. 10.1093/bioinformatics/bts249

By:

Cereto-Massagué, Adrià;
Guasch, Laura;
Valls, Cristina;
Mulero, Miquel;
Pujadas, Gerard;
Garcia-Vallvé, Santiago

Publication type:

Article

Metabolites Secreted by Bovine Embryos In Vitro Predict Pregnancies That the Recipient Plasma Metabolome Cannot, and Vice Versa.

Published in:

Metabolites (2218-1989), 2021, v. 11, n. 3, p. 162, doi. 10.3390/metabo11030162

By:

Gomez, Enrique;
Canela, Nuria;
Herrero, Pol;
Cereto, Adrià;
Gimeno, Isabel;
Carrocera, Susana;
Martin-Gonzalez, David;
Murillo, Antonio;
Muñoz, Marta;
Tomonaga, Shozo

Publication type:

Article

Preventive Treatment with Astaxanthin Microencapsulated with Spirulina Powder, Administered in a Dose Range Equivalent to Human Consumption, Prevents LPS-Induced Cognitive Impairment in Rats.

Published in:

Nutrients, 2023, v. 15, n. 13, p. 2854, doi. 10.3390/nu15132854

By:

Martin, Miquel;
Pusceddu, Matteo M.;
Teichenné, Joan;
Negra, Teresa;
Connolly, Alan;
Escoté, Xavier;
Torrell Galceran, Helena;
Cereto Massagué, Adrià;
Samarra Mestre, Iris;
del Pino Rius, Antoni;
Romero-Gimenez, Jordi;
Egea, Cristina;
Alcaide-Hidalgo, Juan Maria;
del Bas, Josep Maria

Publication type:

Article

The good, the bad and the dubious: VHELIBS, a validation helper for ligands and binding sites.

Published in:

Journal of Cheminformatics, 2013, v. 5, n. 1, p. 1, doi. 10.1186/1758-2946-5-36

By:

Cereto-Massagué, Adrià;
Ojeda, María José;
Joosten, Robbie P.;
Valls, Cristina;
Mulero, Miquel;
Josepa Salvado, M.;
Arola-Arnal, Anna;
Arola, Lluís;
Garcia-Vallvé, Santiago;
Pujadas, Gerard

Publication type:

Article

DecoyFinder, a tool for finding decoy molecules.

Published in:

2012

By:

Adrià, Cereto Massagué;
Garcia-Vallvé, S.;
Pujadas, G.

Publication type:

Abstract

Identification of Novel Human Dipeptidyl Peptidase-IV Inhibitors of Natural Origin (Part I): Virtual Screening and Activity Assays.

Published in:

PLoS ONE, 2012, v. 7, n. 9, p. 1, doi. 10.1371/journal.pone.0044971

By:

Guasch, Laura;
Ojeda, Maria José;
González-Abuín, Noemí;
Sala, Esther;
Cereto-Massagué, Adrià;
Mulero, Miquel;
Valls, Cristina;
Pinent, Montserrat;
Ardévol, Anna;
Garcia-Vallvé, Santiago;
Pujadas, Gerard;
Uversky, Vladimir N.

Publication type:

Article

Multiomic Approach to Analyze Infant Gut Microbiota: Experimental and Analytical Method Optimization.

Published in:

Biomolecules (2218-273X), 2021, v. 11, n. 7, p. 999, doi. 10.3390/biom11070999

By:

Torrell, Helena;
Cereto-Massagué, Adrià;
Kazakova, Polina;
García, Lorena;
Palacios, Héctor;
Canela, Núria

Publication type:

Article

Machine Learning-Based Retention Time Prediction of Trimethylsilyl Derivatives of Metabolites.

Published in:

Biomedicines, 2022, v. 10, n. 4, p. 879, doi. 10.3390/biomedicines10040879

By:

de Cripan, Sara M.;
Cereto-Massagué, Adrià;
Herrero, Pol;
Barcaru, Andrei;
Canela, Núria;
Domingo-Almenara, Xavier

Publication type:

Article

Comparison of Nanopore and Synthesis-Based Next-Generation Sequencing Platforms for SARS-CoV-2 Variant Monitoring in Wastewater.

Published in:

International Journal of Molecular Sciences, 2023, v. 24, n. 24, p. 17184, doi. 10.3390/ijms242417184

By:

Garcia-Pedemonte, David;
Carcereny, Albert;
Gregori, Josep;
Quer, Josep;
Garcia-Cehic, Damir;
Guerrero, Laura;
Ceretó-Massagué, Adrià;
Abid, Islem;
Bosch, Albert;
Costafreda, Maria Isabel;
Pintó, Rosa M.;
Guix, Susana

Publication type:

Article

The Mutational Landscape of SARS-CoV-2.

Published in:

International Journal of Molecular Sciences, 2023, v. 24, n. 10, p. 9072, doi. 10.3390/ijms24109072

By:

Saldivar-Espinoza, Bryan;
Garcia-Segura, Pol;
Novau-Ferré, Nil;
Macip, Guillem;
Martínez, Ruben;
Puigbò, Pere;
Cereto-Massagué, Adrià;
Pujadas, Gerard;
Garcia-Vallve, Santiago

Publication type:

Article

Gut Microbiome and Small RNA Integrative-Omic Perspective of Meconium and Milk-FED Infant Stool Samples.

Published in:

International Journal of Molecular Sciences, 2023, v. 24, n. 9, p. 8069, doi. 10.3390/ijms24098069

By:

Kazakova, Polina;
Abasolo, Nerea;
de Cripan, Sara Martinez;
Marquès, Emili;
Cereto-Massagué, Adrià;
Garcia, Lorena;
Canela, Núria;
Tormo, Ramón;
Torrell, Helena

Publication type:

Article

Prediction of Recurrent Mutations in SARS-CoV-2 Using Artificial Neural Networks.

Published in:

International Journal of Molecular Sciences, 2022, v. 23, n. 23, p. 14683, doi. 10.3390/ijms232314683

By:

Saldivar-Espinoza, Bryan;
Macip, Guillem;
Garcia-Segura, Pol;
Mestres-Truyol, Júlia;
Puigbò, Pere;
Cereto-Massagué, Adrià;
Pujadas, Gerard;
Garcia-Vallve, Santiago

Publication type:

Article

Prediction of Novel Inhibitors of the Main Protease (M-pro) of SARS-CoV-2 through Consensus Docking and Drug Reposition.

Published in:

International Journal of Molecular Sciences, 2020, v. 21, n. 11, p. 3793, doi. 10.3390/ijms21113793

By:

Gimeno, Aleix;
Mestres-Truyol, Júlia;
Ojeda-Montes, María José;
Macip, Guillem;
Saldivar-Espinoza, Bryan;
Cereto-Massagué, Adrià;
Pujadas, Gerard;
Garcia-Vallvé, Santiago

Publication type:

Article

The Light and Dark Sides of Virtual Screening: What Is There to Know?

Published in:

International Journal of Molecular Sciences, 2019, v. 20, n. 6, p. 1375, doi. 10.3390/ijms20061375

By:

Gimeno, Aleix;
Ojeda-Montes, María José;
Tomás-Hernández, Sarah;
Cereto-Massagué, Adrià;
Beltrán-Debón, Raúl;
Mulero, Miquel;
Pujadas, Gerard;
Garcia-Vallvé, Santiago

Publication type:

Article

Correction: DecoyFinder, a tool for finding decoy molecules.

Published in:

Journal of Cheminformatics, 2024, v. 16, n. 1, p. 1, doi. 10.1186/s13321-024-00809-0

By:

Cereto-Massagué, Adrià;
Garcia-Vallvé, S.;
Pujadas, G.

Publication type:

Article

Combined Ligand‐ and Receptor‐Based Virtual Screening Methodology to Identify Structurally Diverse Protein Tyrosine Phosphatase 1B Inhibitors.

Published in:

ChemMedChem, 2018, v. 13, n. 18, p. 1939, doi. 10.1002/cmdc.201800267

By:

Gimeno, Aleix;
Ardid‐Ruiz, Andrea;
Ojeda‐Montes, María José;
Tomás‐Hernández, Sarah;
Cereto‐Massagué, Adrià;
Beltrán‐Debón, Raúl;
Mulero, Miquel;
Valls, Cristina;
Aragonès, Gerard;
Suárez, Manuel;
Pujadas, Gerard;
Garcia‐Vallvé, Santiago

Publication type:

Article