Erix W. Hernández‐Rodríguez

Catholic University of the Maule — Chile

Biochemistry, Genetics and Molecular Biology · Life Sciences

11h-index339citations32works2.32yr avg
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Research Topics

Protein Structure and Dynamics(9), Computational Drug Discovery Methods(5), Bioinformatics and Genomic Networks(4), Receptor Mechanisms and Signaling(4), Photoreceptor and optogenetics research(3)

Publications32 total

Integrative Computational Approaches for the Discovery of Triazole-Based Urease Inhibitors: A Machine Learning, Virtual Screening, and Meta-Dynamics Framework
International Journal of Molecular Sciences·2025Open Access
Comparative Data Analysis of Virtual Screening Methodologies for Predicting Urease Inhibitory Activity
ACS Omega·2025Open Access
Moltiverse: Molecular Conformer Generation Using Enhanced Sampling Methods
Journal of Chemical Information and Modeling·2025· 2 cited
Moltiverse: Molecular Conformer Generation Using Enhanced Sampling Methods
2024Open Access
Natriuretic effect of 4′,5-dihydroxy-6,7-methylenedioxyflavonol-3- <i>O</i> -α-L-rhamnopyranosyl-(1→2)-β-D-xylopyranoside from <i>Boldoa purpurascens: in silico</i> and <i>in vivo</i> studies
Journal of Biomolecular Structure and Dynamics·2024· 1 cited
Moltiverse: Molecular Conformer Generation Using Enhanced Sampling Methods
2024Open Access
From Proteome to Potential Drugs: Integration of Subtractive Proteomics and Ensemble Docking for Drug Repurposing against Pseudomonas aeruginosa RND Superfamily Proteins
International Journal of Molecular Sciences·2024· 6 citedOpen Access
Unveiling Novel Urease Inhibitors for Helicobacter pylori: A Multi-Methodological Approach from Virtual Screening and ADME to Molecular Dynamics Simulations
International Journal of Molecular Sciences·2024· 9 citedOpen Access
Calcium-Alginate-Chitosan Nanoparticle as a Potential Solution for Pesticide Removal, a Computational Approach
Polymers·2023· 11 citedOpen Access
A description of the epidemiological dynamics of Chagas disease via mathematical modeling
Acta Tropica·2023· 2 citedOpen Access
MDSCAN: RMSD-based HDBSCAN clustering of long molecular dynamics
Bioinformatics·2022· 15 citedOpen Access
Structural Insights into the Inhibition Site in the Phosphorylcholine Phosphatase Enzyme of <i>Pseudomonas aeruginosa</i>
Journal of Chemical Information and Modeling·2022· 4 cited
Structural insights into the inhibition site in the phosphorylcholine phosphatase enzyme of Pseudomonas aeruginosa
2022Open Access
Structural insights into the inhibition site in the phosphorylcholine phosphatase enzyme of Pseudomonas aeruginosa
Zenodo (CERN European Organization for Nuclear Research)·2022Open Access
Multi-omics data integration approaches for precision oncology
Molecular Omics·2022· 30 cited
RCDPeaks: memory-efficient density peaks clustering of long molecular dynamics
Bioinformatics·2022· 7 citedOpen Access
Structural Effects of pH Variation and Calcium Amount on the Microencapsulation of Glutathione in Alginate Polymers
BioMed Research International·2022· 4 citedOpen Access
Physicochemical and computational analysis of the melamine resin derivative for the glyphosate absorption from water using Langmuir-type model
International Journal of Environmental Science and Technology·2021· 4 cited
BitQT: a graph-based approach to the quality threshold clustering of molecular dynamics
Bioinformatics·2021· 10 citedOpen Access
Machine learning approach to discovery of small molecules with potential inhibitory action against vasoactive metalloproteases
Molecular Diversity·2021· 9 cited
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Frequent Co-authors

Daniel Bustos(11), Julio Caballero(9), Luís A. Montero(6), Jans Alzate‐Morales(6), Mauricio Bedoya(5), Wendy González(5), Reynier Suardíaz(5), Luis Morales‐Quintana(5), Roy González‐Alemán(4), Ana L. Montero‐Alejo(4), Melissa Alegría‐Arcos(4), Ricardo I. Castro(4), Gabriela Urra(4), Leandro Martı́nez(4), Elizabeth Valdés-Muñoz(4), Alexander F. de la Torre(3), Akbar Ali(3), Daniel Platero-Rochart(3), Fabrice Leclerc(3), Osvaldo Yáñez(3)