Julian Tirado-Rives

21PUBLICATIONS
82CO-AUTHORS
Statistical mechanics in chemistryComputational chemistryDeep learningBiomolecular modelling and designCheminformatics and quantitative structure-activity relationships
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Publications (21)

|Jul 23, 2026
Free Energies of Solvation in Cyclohexane and Water: United-Atom vs All-Atom.

|Sep 25, 2025
Polycyclic Aromatic Hydrocarbons: Solvation, Solubility, and Hydrophobic Effects from Monte Carlo Simulations.

William L Jorgensen, Julian Tirado-Rives

|Jun 18, 2025
Free Energies of Solvation in Benzene and Hexafluorobenzene: Is Explicit Polarization Needed?

William L Jorgensen, Julian Tirado-Rives

|Dec 21, 2023
OPLS/2020 Force Field for Unsaturated Hydrocarbons, Alcohols, and Ethers.

William L Jorgensen, Mohammad M Ghahremanpour, Anastasia Saar

|Nov 22, 2023
Ensemble Geometric Deep Learning of Aqueous Solubility.

Mohammad M Ghahremanpour, Anastasia Saar, Julian Tirado-Rives

|Nov 07, 2023
Assessing Metadynamics and Docking for Absolute Binding Free Energy Calculations Using Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors.

Anastasia Saar, Mohammad M Ghahremanpour, Julian Tirado-Rives

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Frequent Collaborators

20 joint publications

William L Jorgensen

5 joint publications

Mohammad M Ghahremanpour

4 joint publications

Anastasia Saar

2 joint publications

Michael J Robertson