Anastasia Saar

5PUBLICATIONS
9CO-AUTHORS
Biomolecular modelling and designComputational chemistryDeep learningCheminformatics and quantitative structure-activity relationships
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Publications (5)

|Aug 20, 2026
Bicyclo[1.1.1]pentane as a Phenyl Isosteric Replacement.

|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

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Frequent Collaborators

4 joint publications

Mohammad M Ghahremanpour

4 joint publications

Julian Tirado-Rives

4 joint publications

William L Jorgensen

1 joint publications

David C Kombo