R Ochoa, T Fox - Journal of Molecular Graphics and Modelling, 2023 - Elsevier
We present an assessment of different approaches to predict peptide structures using modeling tools. Several small molecule, protein, and peptide-focused methodologies were …
Cardiovascular diseases (CVDs), mainly caused by thrombosis complications, are the leading cause of mortality worldwide, making the development of alternative treatments …
The CABANA project (Capacity Building for Bioinformatics in Latin America) was funded by the UK's Global Challenges Research Fund in 2017 with the aim to strengthen the …
R Ochoa, P Cossio, T Fox - Journal of Computer-Aided Molecular Design, 2022 - Springer
Peptides are commonly used as therapeutic agents. However, they suffer from easy degradation and instability. Replacing natural by non-natural amino acids can avoid these …
DA Karasev, BN Sobolev, DA Filimonov… - … Biology and Chemistry, 2024 - Elsevier
Being widely accepted tools in computational drug search, the (Q) SAR methods have limitations related to data incompleteness. The proteochemometrics (PCM) approach …
The development of protease-activatable drugs and diagnostics requires identifying substrates specific to individual proteases. However, this process becomes increasingly …
R Ochoa, Á Santiago, M Alegría-Arcos - Artificial Intelligence in the Life …, 2022 - Elsevier
The study of protein-peptide interactions is an active research field from an experimental and computational perspective, with the latest presenting challenges to model and simulate …
abstract The study of protein-peptide interactions is an active research field from an experimental and computational perspective, with the latest presenting challenges to model …
From the repertoire of targets, enzymes interacting with peptide substrates constitutes one of the most interesting groups to block due to their impact as key drivers in many biological …