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Jordi Mestres

Orcid: 0000-0002-5202-4501

According to our database¹, Jordi Mestres authored at least 25 papers between 1994 and 2023.

Collaborative distances:

Dijkstra number² of five.
Erdős number³ of four.

Timeline

Legend:

Book

In proceedings

Article

PhD thesis

Dataset

Other

Links

Online presence:

On csauthors.net:

Bibliography

2023

A multiscale orchestrated computational framework to reveal emergent phenomena in neuroblastoma.

[BibT_eX]

[DOI]

,

Kenneth Y. Wertheim

,

Silvia Hervas-Raluy

,

Diego Sainz-DeMena

,

,

Robert Chisholm

,

,

,

Marco Viceconti

,

,

Elisabet Gregori-Puigjané

,

,

Marek Kasztelnik

,

José Manuel García Aznar

Comput. Methods Programs Biomed., November, 2023

Illuminating the Chemical Space of Untargeted Proteins.

[BibT_eX]

[DOI]

Maria J. Falaguera

,

J. Chem. Inf. Model., May, 2023

2022

A Workflow of Integrated Resources to Catalyze Network Pharmacology Driven COVID-19 Research.

[BibT_eX]

[DOI]

Gergely Zahoránszky-Köhalmi

,

Vishal B. Siramshetty

,

,

Manideep Gurumurthy

,

,

,

Dimitrios Metaxatos

,

,

,

,

,

,

,

Matthew D. Hall

,

Samuel G. Michael

,

Alexander G. Godfrey

,

,

Lars Juhl Jensen

,

J. Chem. Inf. Model., 2022

Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds.

[BibT_eX]

[DOI]

Jürgen Bajorath

,

Ana L. Chávez-Hernández

,

Miquel Duran-Frigola

,

Eli Fernández-de Gortari

,

Johann Gasteiger

,

Edgar López-López

,

Gerald M. Maggiora

,

José L. Medina-Franco

,

Oscar Méndez-Lucio

,

,

Ramón Alain Miranda-Quintana

,

,

,

Fernando D. Prieto-Martínez

,

Raquel Rodríguez-Pérez

,

Paola Rondón-Villarreal

,

Fernanda I. Saldívar-González

,

Norberto Sánchez-Cruz

,

J. Cheminformatics, 2022

2021

Identification of the Core Chemical Structure in SureChEMBL Patents.

[BibT_eX]

[DOI]

Maria J. Falaguera

,

J. Chem. Inf. Model., 2021

Extended connectivity interaction features: improving binding affinity prediction through chemical description.

[BibT_eX]

[DOI]

Norberto Sánchez-Cruz

,

José L. Medina-Franco

,

,

Bioinform., 2021

2015

Insights from Fragment Hit Binding Assays by Molecular Simulations.

[BibT_eX]

[DOI]

,

Matthew J. Harvey

,

,

Gianni De Fabritiis

J. Chem. Inf. Model., 2015

2014

Identification of host interactions for phenotypic antimalarial hits.

[BibT_eX]

[DOI]

Andreas Spitzmüller

,

J. Cheminformatics, 2014

2013

Prediction of the <i>P. falciparum</i> Target Space Relevant to Malaria Drug Discovery.

[BibT_eX]

[DOI]

Andreas Spitzmüller

,

PLoS Comput. Biol., 2013

Chemoisosterism in the Proteome.

[BibT_eX]

[DOI]

Xavier Jalencas

,

J. Chem. Inf. Model., 2013

2012

Automatic Filtering and Substantiation of Drug Safety Signals.

[BibT_eX]

[DOI]

Anna Bauer-Mehren

,

Erik M. van Mulligen

,

,

María del Carmen Carrascosa

,

Ricard García-Serna

,

Janet Piñero González

,

,

,

José Luís Oliveira

,

,

Ernst Ahlberg Helgee

,

,

,

,

,

Laura Inés Furlong

PLoS Comput. Biol., 2012

Response to the comment by Wolf Ihlenfeldt on the paper "Indexing molecules with chemical graph identifiers".

[BibT_eX]

[DOI]

Elisabet Gregori-Puigjané

,

Rut Garriga-Sust

,

J. Comput. Chem., 2012

2011

Indexing molecules with chemical graph identifiers.

[BibT_eX]

[DOI]

Elisabet Gregori-Puigjané

,

Rut Garriga-Sust

,

J. Comput. Chem., 2011

2010

iPHACE: integrative navigation in pharmacological space.

[BibT_eX]

[DOI]

Ricard García-Serna

,

,

,

Bioinform., 2010

2006

Ligand-Based Approach to In Silico Pharmacology: Nuclear Receptor Profiling.

[BibT_eX]

[DOI]

,

Lidia Martín-Couce

,

Elisabet Gregori-Puigjané

,

Montserrat Cases

,

J. Chem. Inf. Model., 2006

SHED: Shannon Entropy Descriptors from Topological Feature Distributions.

[BibT_eX]

[DOI]

Elisabet Gregori-Puigjané

,

J. Chem. Inf. Model., 2006

FCP: functional coverage of the proteome by structures.

[BibT_eX]

[DOI]

Ricard García-Serna

,

Lulla Opatowski

,

Bioinform., 2006

2004

Unsupervised guided docking of covalently bound ligands.

[BibT_eX]

[DOI]

,

,

J. Comput. Aided Mol. Des., 2004

2000

Atomic transferability within the exchange-correlation density.

[BibT_eX]

[DOI]

,

,

J. Comput. Chem., 2000

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 matching.

[BibT_eX]

[DOI]

,

Douglas C. Rohrer

,

Gerald M. Maggiora

J. Comput. Aided Mol. Des., 2000

1999

A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors.

[BibT_eX]

[DOI]

,

Douglas C. Rohrer

,

Gerald M. Maggiora

J. Comput. Aided Mol. Des., 1999

1997

MIMIC: A molecular-field matching program. Exploiting applicability of molecular similarity approaches.

[BibT_eX]

[DOI]

,

Douglas C. Rohrer

,

Gerald M. Maggiora

J. Comput. Chem., 1997

1995

Genetic Algorithms: A Robust Scheme for Geometry Optimizations and Global Minimum Structure Problems.

[BibT_eX]

[DOI]

,

Gustavo E. Scuseria

J. Comput. Chem., 1995

1994

Ab Initio Quantum Molecular Similarity Measures on Metal-Substituted Carbonic Anhydrase (MIICA, M = Be, Mg, Mn, Co, Ni, Cu, Zn, and Cd).

[BibT_eX]

[DOI]

,

,

,

J. Chem. Inf. Comput. Sci., 1994

On the Calculation of Ab Initio Quantum Molecular Similarities for Large Systems: Fitting the Electron Density.

[BibT_eX]

[DOI]

,

,

,

J. Comput. Chem., 1994

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