Quantum-Chemical Study on the Bioactive Conformation of Epothilones. - Verónica A. Jiménez (J. Chem. Inf. Model., 2010)

Structural insight into the role of Gln293Met mutation on the Peloruside A/Laulimalide association with αβ-tubulin from molecular dynamics simulations, binding free energy calculations and weak interactions analysis. - Matías A. Zúñiga; Joel B. Alderete; Gonzalo A. Jaña; Verónica A. Jiménez (J. Comput. Aided Mol. Des., 2017)

Catalytic Role of Gln202 in the Carboligation Reaction Mechanism of Yeast AHAS: A QM/MM Study. - Fernanda Mendoza; Fabiola E. Medina; Verónica A. Jiménez; Gonzalo A. Jaña (J. Chem. Inf. Model., 2020)

Interdimeric Curvature in Tubulin-Tubulin Complexes Delineates the Microtubule-Destabilizing Properties of Plocabulin. - Karen R. Navarrete; Verónica A. Jiménez (J. Chem. Inf. Model., 2020)

In Silico Design of Novel Mutant Anti-MUC1 Aptamers for Targeted Cancer Therapy. - Brianda L. Santini; Matías Zúñiga-Bustos; Abraham Vidal-Limon; Joel B. Alderete; Sergio A. Aguila; Verónica A. Jiménez (J. Chem. Inf. Model., 2020)

Stereospecific Inhibition of Ethanol Potentiation on Glycine Receptor by M554 Stereoisomers. - Pilar A. Vásquez; Loreto San Martín; Yenifer Argel; Camila Riquelme; Josefa Torres; Felipe Vidal; Francisca Cayuman; Patricio Castro; Jorge Fuentealba; Gustavo Moraga-Cid; Gonzalo Yevenes; Chunyang Jin; et al. (J. Chem. Inf. Model., 2020)

Rational Design and In Vitro Evaluation of Novel Peptides Binding to Neuroligin-1 for Synaptic Targeting. - Pilar A. Vásquez; Felipe Vidal; Josefa Torres; Verónica A. Jiménez; Leonardo Guzmán (J. Chem. Inf. Model., 2020)

Mechanism-Based Rational Discovery and In Vitro Evaluation of Novel Microtubule Stabilizing Agents with Non-Taxol-Competitive Activity. - Matías A. Zúñiga; Pilar A. Vásquez; Gonzalo A. Jaña; José L. Guzmán; Joel B. Alderete; Verónica A. Jiménez (J. Chem. Inf. Model., 2020)

NanoMIPs Design for Fucose and Mannose Recognition: A Molecular Dynamics Approach. - Yadiris García; Brandon A. Úsuga; Cristian H. Campos; Joel B. Alderete; Verónica A. Jiménez (J. Chem. Inf. Model., 2021)

On the Microtubule-Stabilizing Properties of a Tau Oligopeptide. - Verónica A. Jiménez (J. Chem. Inf. Model., 2021)

Rational Design of Novel Glycomimetic Peptides for E-Selectin Targeting. - Verónica A. Jiménez; Karen R. Navarrete; Mario Duque-Noreña; Kelly P. Marrugo; María A. Contreras; Cristian H. Campos; Joel B. Alderete (J. Chem. Inf. Model., 2021)

Rational Discovery of Microtubule-Stabilizing Peptides. - Brandon Úsuga-Acevedo; Yadiris García; Carola F. Díaz; Verónica A. Jiménez (J. Chem. Inf. Model., 2022)

Insight into the Role of Active Site Protonation States and Water Molecules in the Catalytic Inhibition of DPP4 by Vildagliptin. - Jeisson D. Corredor; Camilo Febres-Molina; Gonzalo A. Jaña; Verónica A. Jiménez (J. Chem. Inf. Model., 2023)

goChem: A Composable Library for Multi-Scale Computational Chemistry Data Analysis. - Moisés Domínguez; Verónica A. Jiménez; Gökcen Savasci; Rocío Araya-Osorio; Janne Pesonen; Raúl Mera-Adasme (J. Comput. Chem., 2025)