Leonardo Medrano Sandonas

20PUBLICATIONS
44CO-AUTHORS
Adversarial machine learningTheoretical quantum chemistryStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterBiomolecular modelling and designBioinformatic methods development
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Publications (20)

|Sep 08, 2026
Exploring Conformational Transitions of Adenine RNA Dimer via Machine Learning Potentials.

|Apr 20, 2026
Machine-Learned Electrostatic Potentials for Accurate Hydration Free Energy Calculations.

|Jan 26, 2026
Advancing density functional tight-binding method for large organic molecules through equivariant neural networks.

Leonardo Medrano Sandonas, Mirela Puleva, Zekiye Erarslan

|Jan 23, 2026
Assessing the performance of quantum-mechanical descriptors in physicochemical and biological property prediction.

Alejandra Hinostroza Caldas, Artem Kokorin, Alexandre Tkatchenko

|Sep 29, 2025
Extending quantum-mechanical benchmark accuracy to biological ligand-pocket interactions.

Mirela Puleva, Leonardo Medrano Sandonas, Balázs D Lőrincz

|Aug 31, 2025
Molecular Simulations with a Pretrained Neural Network and Universal Pairwise Force Fields.

Adil Kabylda, J Thorben Frank, Sergio Suárez-Dou

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Frequent Collaborators

12 joint publications

Alexandre Tkatchenko

6 joint publications

Gianaurelio Cuniberti

5 joint publications

Rafael Gutierrez

2 joint publications

Martin Stöhr