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Elias Daniel Lopez
Elias Daniel Lopez
Data Scientist, Arcos Dorados
Email verificata su ar.mcd.com
Titolo
Citata da
Citata da
Anno
Molecular dynamics in mixed solvents reveals protein–ligand interactions, improves docking, and allows accurate binding free energy predictions
JP Arcon, LA Defelipe, CP Modenutti, ED López, D Alvarez-Garcia, ...
Journal of chemical information and modeling 57 (4), 846-863, 2017
882017
WATCLUST: a tool for improving the design of drugs based on protein-water interactions
ED Lopez, JP Arcon, DF Gauto, AA Petruk, CP Modenutti, VG Dumas, ...
Bioinformatics 31 (22), 3697-3699, 2015
572015
AutoDock Bias: improving binding mode prediction and virtual screening using known protein–ligand interactions
JP Arcon, CP Modenutti, D Avendaño, ED Lopez, LA Defelipe, ...
Bioinformatics 35 (19), 3836-3838, 2019
512019
Cosolvent-based protein pharmacophore for ligand enrichment in virtual screening
JP Arcon, LA Defelipe, ED Lopez, O Burastero, CP Modenutti, X Barril, ...
Journal of Chemical Information and Modeling 59 (8), 3572-3583, 2019
252019
Phosphorylation or mutation of the ERK2 activation loop alters oligonucleotide binding
AC McReynolds, AS Karra, Y Li, ED Lopez, AG Turjanski, E Dioum, ...
Biochemistry 55 (12), 1909-1917, 2016
222016
Kinase activation by small conformational changes
ED Lopez, O Burastero, JP Arcon, LA Defelipe, NG Ahn, MA Marti, ...
Journal of chemical information and modeling 60 (2), 821-832, 2019
192019
Multiscale approach to the activation and phosphotransfer mechanism of CpxA histidine kinase reveals a tight coupling between conformational and chemical steps
F Marsico, O Burastero, LA Defelipe, ED Lopez, M Arrar, AG Turjanski, ...
Biochemical and biophysical research communications 498 (2), 305-312, 2018
112018
Cosolvent Sites-Based Discovery of Mycobacterium Tuberculosis Protein Kinase G Inhibitors
O Burastero, LA Defelipe, G Gola, NL Tateosian, ED Lopez, CB Martinena, ...
Journal of medicinal chemistry 65 (14), 9691-9705, 2022
52022
Specificity and Reactivity of Mycobacterium tuberculosis Serine/Threonine Kinases PknG and PknB
O Burastero, M Cabrera, ED Lopez, LA Defelipe, JP Arcon, R Durán, ...
Journal of Chemical Information and Modeling 62 (7), 1723-1733, 2022
32022
Correction to Molecular Dynamics in Mixed Solvents Reveals Protein–Ligand Interactions, Improves Docking and Allows Accurate Binding Free Energy Predictions
JP Arcon, LA Defelipe, CP Modenutti, ED López, D Alvarez Garcia, ...
Journal of Chemical Information and Modeling 58 (6), 1312-1312, 2018
12018
Novel Mycobacterium tuberculosis PknG inhibitors. A computational-experimental study
O Burastero, L Defelipe, J Arcon, E Lopez, X Barril, M Marti, A Turjanski
International Journal of Infectious Diseases 73, 345-346, 2018
2018
Estudio de la relación estructura-función en Proteínas quinasa
ED López
2017
Water sites improve docking prediction for hydrophilic drugs
ED Lopez, JP Arcon
2015
Supplementary Information AutoDock Bias: improving binding mode prediction and virtual screening using known protein-ligand interactions
JP Arcon, CP Modenutti, D Avendano, ED Lopez, LA Defelipe, ...
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