Jordi Mestres

Computational Theory and Mathematics · 2007–2020

A researcher in the Science corpus: 5 papers; trusts 5 researchers and is trusted by 3 researchers here, as inferred from the citation graph.

Subfields

• Computational Theory and Mathematics — 54 citations into it; #6,718 of 12,182 by trust here, #2,629 by citations
• Molecular Biology — 51 citations into it; #14,445 of 17,773 by trust here, #10,864 by citations
• Computational Chemistry & Drug Discovery — 23 citations into it
• Pharmacology — 15 citations into it; #281 of 1,112 by trust here, #387 by citations
• Radiology, Nuclear Medicine and Imaging — 5 citations into it

Whom Jordi Mestres trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

1. Sean Ekins
2. Brian K. Shoichet
3. Gerhard Klebe
4. Jürgen Bajorath
5. Bernard Testa

Who trusts Jordi Mestres overall

1. Sean Ekins
2. Yang Zhang

Papers from Jordi Mestres's perspective

Ordered by how strongly the researchers Jordi Mestres trusts endorse each paper. Same corpus, a different order for every researcher.

1. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings.
2. MODBASE: a database of annotated comparative protein structure models and associated resources
3. Consensus scoring: A method for obtaining improved hit rates from docking databases of three-dimensional structures into proteins.
4. Docking and scoring in virtual screening for drug discovery: methods and applications
5. Ligand–protein inverse docking and its potential use in the computer search of protein targets of a small molecule (Proteins: Structure, Function, and Bioinformatics)
6. Virtual screening methods that complement HTS.
7. Integration of virtual and high-throughput screening
8. Integrating virtual screening in lead discovery.
9. TarFisDock: a web server for identifying drug targets with docking approach (Nucleic Acids Res.)
10. Handbook of Molecular Descriptors

Their papers

• In silico pharmacology for drug discovery: applications to targets and beyond (2007) — 363 citations
• In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling (2007) — 688 citations
• The topology of drug-target interaction networks: implicit dependence on drug properties and target families. (2009) — 211 citations
• Extended connectivity interaction features: improving binding affinity prediction through chemical description (2020) — 106 citations
• Open Source Drug Discovery with the Malaria Box Compound Collection for Neglected Diseases and Beyond (2016) — 364 citations