Rodrigo Ochoa

Publication Activity (10 Years)

Years Active: 2014-2023
Publications (10 Years): 8

Top Topics

Tandem Mass Spectra

Virtual Screening

Protein Classification

Iterative Optimization

Top Venues

J. Comput. Aided Mol. Des.

J. Chem. Inf. Model.

Publications

Rodrigo Ochoa, J. B. Brown, Thomas Fox
pyPept: a python library to generate atomistic 2D and 3D representations of peptides. J. Cheminformatics 15 (1) (2023)
Rodrigo Ochoa, Pilar Cossio, Thomas Fox
Protocol for iterative optimization of modified peptides bound to protein targets. J. Comput. Aided Mol. Des. 36 (11) (2022)
Thomas Fox, Michael Bieler, Peter Haebel, Rodrigo Ochoa, Stefan Peters, Alexander Weber
BILN: A Human-Readable Line Notation for Complex Peptides. J. Chem. Inf. Model. 62 (17) (2022)
Rodrigo Ochoa, Miguel A. Soler, Alessandro Laio, Pilar Cossio
PARCE: Protocol for Amino acid Refinement through Computational Evolution. Comput. Phys. Commun. 260 (2021)
Rodrigo Ochoa, Mikhail D. Magnitov, Roman A. Laskowski, Pilar Cossio, Janet M. Thornton
An automated protocol for modelling peptide substrates to proteases. BMC Bioinform. 21 (1) (2020)
Christian Bustamante, Rodrigo Ochoa, Claudia Asela, Carlos Muskus
Repurposing of known drugs for leishmaniasis treatment using bioinformatic predictions, in vitro validations and pharmacokinetic simulations. J. Comput. Aided Mol. Des. 33 (9) (2019)
Rodrigo Ochoa, Alessandro Laio, Pilar Cossio
Predicting the Affinity of Peptides to Major Histocompatibility Complex Class II by Scoring Molecular Dynamics Simulations. J. Chem. Inf. Model. 59 (8) (2019)
Rodrigo Ochoa, Stanley J. Watowich, Andrés F. Flórez, Carol V. Mesa, Sara M. Robledo, Carlos Muskus
Drug search for leishmaniasis: a virtual screening approach by grid computing. J. Comput. Aided Mol. Des. 30 (7) (2016)
Rodrigo Ochoa, Mark Davies, George Papadatos, Francis Atkinson, John P. Overington
myChEMBL: a virtual machine implementation of open data and cheminformatics tools. Bioinform. 30 (2) (2014)