Rubicelia Vargas

20PUBLICATIONS
41CO-AUTHORS
Theoretical quantum chemistryBiomolecular modelling and designMetal organic frameworksTheory and design of materialsCheminformatics and quantitative structure-activity relationships
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Publications (20)

|Oct 01, 2026
Benchmarking DFT for Chain-Length and Water Effects in Thermal Conia-Ene Cyclization.

|Aug 13, 2026
Molecular Dynamics and Electron Density Topology Reveal Ligand-Specific Interaction Patterns at the Dopamine D2 Receptor.

|Jul 29, 2026
WFX Molecular Fragment References for Hirshfeld Charge-Transfer Analysis in Non-Covalent Complexes.

|Jun 16, 2026
Systematic exploration of host-guest potential energy surfaces in metal-organic frameworks.

|Apr 02, 2026
Residue-Level Affinity Decomposition via Quantum Electron Density: A Multivariable Framework Applied to HIV-1 Protease Inhibitors.

Jorge Gutiérrez-Flores, Gerardo Padilla-Bernal, César Sánchez-Juárez

|Jan 19, 2026
The Crucial Role of Noncovalent Interactions in PLGA Nanoparticles: Impact on Carvacrol/p‑Cymene Release, Biological Activity, and Antibiofilm Properties.

Alejandra Romero-Montero, Erika Medel, Jorge Gutiérrez-Flores

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Frequent Collaborators

8 joint publications

Ilich A Ibarra

7 joint publications

Jorge Garza

6 joint publications

Ana Martínez

5 joint publications

Jorge Gutiérrez-Flores