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List of works by Alberto Del Rio

A SMYD3 Small-Molecule Inhibitor Impairing Cancer Cell Growth

scientific article published on October 2015

A computational workflow for the design of irreversible inhibitors of protein kinases.

scientific article published on 21 March 2010

ADP-ribosylated proteins as old and new drug targets for anticancer therapy: the example of ARF6.

scientific article published on January 2013

Activity prediction and structural insights of extracellular signal-regulated kinase 2 inhibitors with molecular dynamics simulations.

scientific article published on 14 October 2009

Assessing protein kinase selectivity with molecular dynamics and mm-pbsa binding free energy calculations.

scientific article

Binding estimation after refinement, a new automated procedure for the refinement and rescoring of docked ligands in virtual screening

scientific article published in March 2009

Chemoinformatic analysis of GRAS (Generally Recognized as Safe) flavor chemicals and natural products

scientific article published in 2012

Chiral liquid chromatography contribution to the determination of the absolute configuration of enantiomers.

scientific article published in May 2004

CoCoCo: a free suite of multiconformational chemical databases for high-throughput virtual screening purposes

scientific article published on 09 August 2010

Comparative Analysis of Pharmacophore Screening Tools ⬇️

scientific article published on June 13, 2012

Computer-aided Molecular Design of Compounds Targeting Histone Modifying Enzymes

scientific article

Data mining and enantiophore studies on chiral stationary phases used in HPLC separation

scientific article

Differential modulation of SIRT6 deacetylase and deacylase activities by lysine-based small molecules

scientific article published on 25 June 2019

Editorial (Hot Topic: Cross-Talking Metabolism and Epigenetics in Anti-Cancer Drug Design)

scientific article published on January 1, 2013

Enantiophore modeling in 3D-QSAR. A data mining application on Whelk-O1 chiral stationary phase

scientific article

Enantiorecognition on solid chiral selectors using microbatch technology: an example of limitation in case of strong association in the racemate

scientific article published in July 2005

Fast and accurate predictions of binding free energies using MM-PBSA and MM-GBSA.

scientific article published in March 2010

Freely Accessible Databases of Commercial Compounds For High- Throughput Virtual Screenings ⬇️

scientific article published on January 1, 2012

Immunoproteasome in cancer and neuropathologies: a new therapeutic target?

scientific article published on January 2013

Light-Induced Therapies for Prostate Cancer Treatment

scientific article published on 29 October 2019

Modulation of epigenetic targets for anticancer therapy: clinicopathological relevance, structural data and drug discovery perspectives

scientific article

Non-racemic atropisomeric (thio)ureas as neutral enantioselective anion receptors for amino-acid derivatives: origin of smaller Kass with thiourea than urea derivatives

article

PARP14 promotes the Warburg effect in hepatocellular carcinoma by inhibiting JNK1-dependent PKM2 phosphorylation and activation ⬇️

scientific article published on 10 August 2015

Physicochemical modifications of histones and their impact on epigenomics

scientific article published on 20 May 2014

Predicting the Thermal Stability of Nitroaromatic Compounds Using Chemoinformatic Tools

scientific article published on 01 June 2011

Reassessment of methyl rotation barriers and conformations by correlated quantum chemistry methods

scientific article published in December 2003

SIRT6 inhibitors with salicylate-like structure show immunosuppressive and chemosensitizing effects.

scientific article published on 19 September 2017

Selectivity hot-spots of sirtuin catalytic cores

scientific article published on July 2015

Simple method for the prediction of the separation of racemates with high-performance liquid chromatography on Whelk-O1 chiral stationary phase

scientific article published on 19 January 2008

Sorafenib inhibits p38α activity in colorectal cancer cells and synergizes with the DFG-in inhibitor SB202190 to increase apoptotic response

scientific article published on 17 September 2012

Structure-Based Design of Potent Aromatase Inhibitors by High-Throughput Docking ⬇️

scientific article published on May 23, 2011

Synthesis and biological characterization of 3-(imidazol-1-ylmethyl)piperidine sulfonamides as aromatase inhibitors

scientific article published on 28 April 2016

Theoretical reassessment of Whelk-O1 as an enantioselective receptor for 1-(4-halogeno-phenyl)-1-ethylamine derivatives

scientific article published on 01 January 2004

Unveiling the Biochemistry of the Epigenetic Regulator SMYD3

scientific article published on 21 August 2019

microRNA biogenesis pathway as a therapeutic target for human disease and cancer

scientific article published on January 2013

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