Anastasia Saar

Publication Activity (10 Years)

Years Active: 2023-2023
Publications (10 Years): 5

Top Topics

Molecular Dynamics Simulations

Magnetic Resonance

Top Venues

Journal of chemical information and modeling

The journal of physical chemistry. B

This page only lists publications with an associated author ORCID identifier.

Publications

William L Jorgensen, Mohammad M Ghahremanpour, Anastasia Saar, Julian Tirado-Rives
OPLS/2020 Force Field for Unsaturated Hydrocarbons, Alcohols, and Ethers. The journal of physical chemistry. B (2023)
Mohammad M Ghahremanpour, Anastasia Saar, Julian Tirado-Rives, William L Jorgensen
Computation of Absolute Binding Free Energies for Noncovalent Inhibitors with SARS-CoV-2 Main Protease. Journal of chemical information and modeling (2023)
Mohammad M Ghahremanpour, Anastasia Saar, Julian Tirado-Rives, William L Jorgensen
Ensemble Geometric Deep Learning of Aqueous Solubility. Journal of chemical information and modeling (2023)
Anastasia Saar, Mohammad M Ghahremanpour, Julian Tirado-Rives, William L Jorgensen
Assessing Metadynamics and Docking for Absolute Binding Free Energy Calculations Using Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors. Journal of chemical information and modeling (2023)
William L Jorgensen, Mohammad M Ghahremanpour, Anastasia Saar, Julian Tirado-Rives
OPLS/2020 Force Field for Unsaturated Hydrocarbons, Alcohols, and Ethers. The journal of physical chemistry. B 128 (1) (2023)