Andrés Felipe Flor Lopez (Universidad Tecnológica de Pereira)
Elucidating the origin of non-statistical regimes driven by specific normal modes in highly competitive cycloaromatizations
Daniel Felipe Victoria Muñoz (Fundación Universitaria Salesiana)
SMARTDock: A Toolkit for the Automated Development of Target-Specific Scoring Functions Using Bioactivity Data
Aldo Fabrizzio Combariza Montañez (Universidad de Sucre)
Algorithmic Complexity and Lignin Evolution: A Non-Monotonic Hardwood Transition Peak from a Two-Experiment Computational Framework
Rafael Porras-Roldan (Université Paris-Saclay/University of Exeter)
Magnetic field effects in diradical species in the addition of singlet oxygen to olefins
José Mauricio Rodas Rodríguez (Universidad de Caldas)
Integrated In Silico Study of Quaternary Ammonium Salts Targeting Colorectal Cancer Pathways
José Manuel Gómez López (Universidad de Antioquia)
Overcoming PES Sampling Redundancy via Physicochemical Fingerprints
Angelica Alvarez Cerquera (Universidad de Arizona)
Multi-scale Spectral Topology Enhances Graph Neural Network-Based Drug Target Prioritization for Alzheimer's Disease
Ricardo Mogollon ( Universidad Nacional de Colombia)
Electrostatic Trees as Chemical Representation for Molecule Generation
Diego Chaparro ( Universidad Nacional de Colombia)
Shape-dependent oxidation of morphology-structured silver nanoparticles
Isaac D. Arreita (Instituto de Física, Universidad de Antioquia)
Quantum algorithms for the calculation of electronic excited states and absorption spectra for simple molecules.
Chonny Alexander Herrera (Universidad ACCI)
Machine Learning-Driven Discovery of Naphthoquinones: A Robust Virtual Screening Approach Against Trypanosoma brucei
Andrés F. González (Universidad Nacional de Colombia)
Macrocyclization of 4-hydroxybenzylamine derivatives: Computational study and product characterization.
Marcia Yineth Castillo (Universidad de Los Andes)
An Integrative In Silico Framework Combining Machine Learning, Docking, and Molecular Dynamics to Identify and Reposition Small Molecules Restoring Mutant p53–DNA Interaction
Brayan Aldahir Maisincho (Yachay Tech University)
Maximizing Dispersion Interaction Recovery Based on Multiconfigurational Methods
Vanessa Gallego Montoya ( Universidad de Antioquia)
Chikungunya Infectious Cycle: Molecular Recognition and Attachment to the MXRA8 Receptor