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Rodrigo Ochoa
Rodrigo Ochoa
Senior Scientist, Novo Nordisk, Måløv, Denmark
Verifisert e-postadresse på novonordisk.com - Startside
Tittel
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Sitert av
År
Drug search for leishmaniasis: a virtual screening approach by grid computing
R Ochoa, SJ Watowich, A Flórez, CV Mesa, SM Robledo, C Muskus
Journal of computer-aided molecular design 30, 541-552, 2016
492016
Anti-herpetic, anti-dengue and antineoplastic activities of simple and heterocycle-fused derivatives of terpenyl-1, 4-naphthoquinone and 1, 4-anthraquinone
VC Roa-Linares, Y Miranda-Brand, V Tangarife-Castaño, R Ochoa, ...
Molecules 24 (7), 1279, 2019
422019
Predicting the affinity of peptides to major histocompatibility complex class II by scoring molecular dynamics simulations
R Ochoa, A Laio, P Cossio
Journal of chemical information and modeling 59 (8), 3464-3473, 2019
402019
Repurposing of known drugs for leishmaniasis treatment using bioinformatic predictions, in vitro validations and pharmacokinetic simulations
C Bustamante, R Ochoa, C Asela, C Muskus
Journal of Computer-Aided Molecular Design 33, 845-854, 2019
342019
myChEMBL: a virtual machine implementation of open data and cheminformatics tools
R Ochoa, M Davies, G Papadatos, F Atkinson, JP Overington
Bioinformatics 30 (2), 298-300, 2014
252014
Toxic Activity, Molecular Modeling and Docking Simulations of Bacillus thuringiensis Cry11 Toxin Variants Obtained via DNA Shuffling
AM Florez, MO Suarez-Barrera, GM Morales, KV Rivera, S Orduz, ...
Frontiers in Microbiology 9, 2461, 2018
242018
Assessing the capability of in silico mutation protocols for predicting the finite temperature conformation of amino acids
R Ochoa, MA Soler, A Laio, P Cossio
Physical Chemistry Chemical Physics 20 (40), 25901-25909, 2018
242018
MyChEMBL: a virtual platform for distributing cheminformatics tools and open data
M Davies, M Nowotka, G Papadatos, F Atkinson, GJP VanWesten, ...
Challenges 5 (2), 334, 2014
242014
dockECR: Open consensus docking and ranking protocol for virtual screening of small molecules
R Ochoa, K Palacio-Rodriguez, CM Clemente, NS Adler
Journal of Molecular Graphics and Modelling 109, 108023, 2021
232021
Perspectives for the structure-based design of acetylcholinesterase reactivators
R Ochoa, CA Rodriguez, AF Zuluaga
Journal of Molecular Graphics and Modelling, 2016
222016
Application of ensemble pharmacophore-based virtual screening to the discovery of novel antimitotic tubulin inhibitors
L Gallego-Yerga, R Ochoa, I Lans, C Peña-Varas, M Alegría-Arcos, ...
Computational and Structural Biotechnology Journal 19, 4360-4372, 2021
212021
The Akt-like kinase of Leishmania panamensis: As a new molecular target for drug discovery
D Tirado-Duarte, M Marín-Villa, R Ochoa, G Blandón-Fuentes, MJ Soares, ...
Acta Tropica 177, 171-178, 2018
202018
PARCE: protocol for amino acid refinement through computational evolution
R Ochoa, MA Soler, A Laio, P Cossio
Computer Physics Communications 260, 107716, 2021
172021
PepFun: open source protocols for peptide-related computational analysis
R Ochoa, P Cossio
Molecules 26 (6), 1664, 2021
162021
Multiple-allele MHC class II epitope engineering by a molecular dynamics-based evolution protocol
R Ochoa, VAS Lunardelli, DS Rosa, A Laio, P Cossio
Frontiers in Immunology 13, 862851, 2022
132022
Search of Allosteric Inhibitors and Associated Proteins of an AKT-like Kinase from Trypanosoma cruzi
R Ochoa, C Rocha-Roa, M Marín-Villa, SM Robledo, RE Varela-M
International Journal of Molecular Sciences 19 (12), 3951, 2018
132018
In silico screening of potential drug with antileishmanial activity and validation of their activity by in vitro and in vivo studies
CV Mesa, GA Blandón, DL Muñoz, CE Muskus, AF Flórez, R Ochoa, ...
J Chem Chem Eng 9, 375-402, 2015
122015
Virtual and experimental screening of phenylfuranchalcones as potential anti-Leishmania candidates
R Ochoa, E García, SM Robledo
Journal of Molecular Graphics and Modelling 91, 164-171, 2019
112019
Furanchalcone–biphenyl hybrids: synthesis, in silico studies, antitrypanosomal and cytotoxic activities
E García, R Ochoa, I Vásquez, L Conesa-Milián, M Carda, A Yepes, ...
Medicinal Chemistry Research 28, 608-622, 2019
112019
An automated protocol for modelling peptide substrates to proteases
R Ochoa, M Magnitov, RA Laskowski, P Cossio, JM Thornton
BMC bioinformatics 21, 1-20, 2020
92020
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Artikler 1–20