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Julian Tirado-Rives

20PUBLICATIONS

82CO-AUTHORS

Computational chemistryStatistical mechanics in chemistryStructural biology (incl. macromolecular modelling)Deep learningBiomolecular modelling and design

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Publications (20)

Sort by Publication Date:

|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

|Apr 02, 2025

The need to implement FAIR principles in biomolecular simulations.

Rommie E Amaro, Johan Åqvist, Ivet Bahar

|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

19 joint publications

William L Jorgensen

5 joint publications

Mohammad M Ghahremanpour

4 joint publications

Anastasia Saar

2 joint publications

Michael J Robertson

2 joint publications

Scott J Miller

1 joint publications

Xin Cindy Yan

1 joint publications

Anthony J Metrano

1 joint publications

Nadia C Abascal

1 joint publications

Elizabeth A Stone

1 joint publications

Maya G Deshmukh

Frequent Collaborators

19 joint publications

William L Jorgensen

5 joint publications

Mohammad M Ghahremanpour

4 joint publications

Anastasia Saar

2 joint publications

Michael J Robertson

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