Mohammad M Ghahremanpour

5PUBLICATIONS
3CO-AUTHORS
Computational chemistryDeep learningBiomolecular modelling and designCheminformatics and quantitative structure-activity relationshipsComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)
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Publications (5)

|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

|Aug 10, 2023
Computation of Absolute Binding Free Energies for Noncovalent Inhibitors with SARS-CoV-2 Main Protease.

Mohammad M Ghahremanpour, Anastasia Saar, Julian Tirado-Rives

|Aug 01, 2022
Refinement of the Optimized Potentials for Liquid Simulations Force Field for Thermodynamics and Dynamics of Liquid Alkanes.

Mohammad M Ghahremanpour, Julian Tirado-Rives, William L Jorgensen

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Frequent Collaborators

5 joint publications

Julian Tirado-Rives

5 joint publications

William L Jorgensen

4 joint publications

Anastasia Saar