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List of works by Alvaro Cortés-Cabrera

A computational fragment-based de novo design protocol guided by ligand efficiency indices (LEI).

scientific article published on January 2015

ALFA: automatic ligand flexibility assignment.

scientific article published on 15 January 2014

Active learning strategies with COMBINE analysis: new tricks for an old dog

scientific article published on 18 December 2018

Aggregated Compound Biological Signatures Facilitate Phenotypic Drug Discovery and Target Elucidation

scientific article

Application of Artificial Intelligence to the Prediction of the Antimicrobial Activity of Essential Oils

scientific article

AtlasCBS: a web server to map and explore chemico-biological space.

scientific article

Comparison of ultra-fast 2D and 3D ligand and target descriptors for side effect prediction and network analysis in polypharmacology.

scientific article

Differential role of Snail1 and Snail2 zinc fingers in E-cadherin repression and epithelial to mesenchymal transition

scientific article published on 10 January 2014

Enantioselective oxidation of galactitol 1-phosphate by galactitol-1-phosphate 5-dehydrogenase from Escherichia coli

scientific article

Esterase LpEst1 from Lactobacillus plantarum: a novel and atypical member of the αβ hydrolase superfamily of enzymes

scientific article

HtrA1 activation is driven by an allosteric mechanism of inter-monomer communication.

scientific article published in November 2017

Identification of NEK3 and MOK as novel targets for lithium

scientific article published on 12 February 2019

Identification of Small Molecules Disrupting the Ubiquitin Proteasome System in Malaria

scientific article published on 07 November 2019

MM-ISMSA: An Ultrafast and Accurate Scoring Function for Protein–Protein Docking

scientific article published on 14 August 2012

Making sense of the past: hyperstability of ancestral thioredoxins explained by free energy simulations

scientific article published on 21 August 2017

Microwave-assisted synthesis of potent PDE7 inhibitors containing a thienopyrimidin-4-amine scaffold

scientific article

Molecular Recognition of Epothilones by Microtubules and Tubulin Dimers Revealed by Biochemical and NMR Approaches

scientific article published on 25 February 2014

Optimal HTS fingerprints definitions by using a desirability function and a genetic algorithm.

scientific article published on 9 February 2018

Stepwise Simulation of 3,5-Dihydro-5-methylidene-4H-imidazol-4-one (MIO) Biogenesis in Histidine Ammonia-lyase

scientific article published on 29 September 2016

Structural rationale for the cross-resistance of tumor cells bearing the A399V variant of elongation factor eEF1A1 to the structurally unrelated didemnin B, ternatin, nannocystin A and ansatrienin B.

scientific article published on 12 September 2017

Unravelling the covalent binding of zampanolide and taccalonolide AJ to a minimalist representation of a human microtubule

scientific article published on 31 May 2019

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