Elias D. Lopez

Buenos Aires, C C1428EGA, Argentina

Last Updated: 09/26/2026

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Found 15 publications

Cosolvent Sites-Based Discovery of Mycobacterium Tuberculosis Protein Kinase G Inhibitors.

Cosolvent Sites-Based Discovery of Mycobacterium Tuberculosis Protein Kinase G Inhibitors.

Journal: Journal of medicinal chemistry

Published: June 23, 2022

Specificity and Reactivity of Mycobacterium tuberculosis Serine/Threonine Kinases PknG and PknB.

Specificity and Reactivity of Mycobacterium tuberculosis Serine/Threonine Kinases PknG and PknB.

Journal: Journal of chemical information and modeling

Published: March 23, 2022

Kinase Activation by Small Conformational Changes.

Kinase Activation by Small Conformational Changes.

Journal: Journal of chemical information and modeling

Published: November 13, 2019

Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening.

Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening.

Journal: Journal of chemical information and modeling

Published: August 03, 2019

AutoDock Bias: improving binding mode prediction and virtual screening using known protein-ligand interactions.

AutoDock Bias: improving binding mode prediction and virtual screening using known protein-ligand interactions.

Journal: Bioinformatics (Oxford, England)

Published: January 01, 2019

Correction to Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking and Allows Accurate Binding Free Energy Predictions.

Correction to Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking and Allows Accurate Binding Free Energy Predictions.

Journal: Journal of chemical information and modeling

Published: June 14, 2018

The reactivity of cyclopropyl cyanide in titan's atmosphere: a possible pre-biotic mechanism.

The reactivity of cyclopropyl cyanide in titan's atmosphere: a possible pre-biotic mechanism.

Journal: Physical chemistry chemical physics : PCCP

Published: February 13, 2018

Multiscale approach to the activation and phosphotransfer mechanism of CpxA histidine kinase reveals a tight coupling between conformational and chemical steps.

Multiscale approach to the activation and phosphotransfer mechanism of CpxA histidine kinase reveals a tight coupling between conformational and chemical steps.

Journal: Biochemical and biophysical research communications

Published: June 15, 2017

The role of Li+ ions in the gas phase dehydrohalogenation and dehydration reactions of i-C3H7Br and i-C3H7OH molecules studied by radiofrequency-guided ion beam techniques and ab initio methods.

The role of Li+ ions in the gas phase dehydrohalogenation and dehydration reactions of i-C3H7Br and i-C3H7OH molecules studied by radiofrequency-guided ion beam techniques and ab initio methods.

Journal: The Journal of chemical physics

Published: April 10, 2017

Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions.

Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions.

Journal: Journal of chemical information and modeling

Published: March 21, 2017

Phosphorylation or Mutation of the ERK2 Activation Loop Alters Oligonucleotide Binding.

Phosphorylation or Mutation of the ERK2 Activation Loop Alters Oligonucleotide Binding.

Journal: Biochemistry

Published: March 08, 2016

Dehydrohalogenation and Dehydration Reactions of i-C3H7Br and i-C3H7OH by Sodium Ions Studied by Guided Ion Beam Techniques and Quantum Chemical Methods.

Dehydrohalogenation and Dehydration Reactions of i-C3H7Br and i-C3H7OH by Sodium Ions Studied by Guided Ion Beam Techniques and Quantum Chemical Methods.

Journal: The journal of physical chemistry. A

Published: January 27, 2016

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Last Updated: 09/26/2026