Julian Tirado-Rives
Yale University
H-index: 54
North America-United States
Top articles of Julian Tirado-Rives
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Ensemble Geometric Deep Learning of Aqueous Solubility | Journal of Chemical Information and Modeling | Mohammad M Ghahremanpour Anastasia Saar Julian Tirado-Rives William L Jorgensen | 2023/11/22 |
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 | Anastasia Saar Mohammad M Ghahremanpour Julian Tirado-Rives William L Jorgensen | 2023/11/7 |
Computation of Absolute Binding Free Energies for Noncovalent Inhibitors with SARS-CoV-2 Main Protease | Journal of Chemical Information and Modeling | Mohammad M Ghahremanpour Anastasia Saar Julian Tirado-Rives William L Jorgensen | 2023/8/10 |
OPLS/2020 Force Field for Unsaturated Hydrocarbons, Alcohols, and Ethers | The Journal of Physical Chemistry B | William L Jorgensen Mohammad M Ghahremanpour Anastasia Saar Julian Tirado-Rives | 2023/12/21 |
Refinement of the optimized potentials for liquid simulations force field for thermodynamics and dynamics of liquid alkanes | The Journal of Physical Chemistry B | Mohammad M Ghahremanpour Julian Tirado-Rives William L Jorgensen | 2022/8/1 |
Potent noncovalent inhibitors of the main protease of SARS-CoV-2 from molecular sculpting of the drug perampanel guided by free energy perturbation calculations | ACS central science | Chun-Hui Zhang Elizabeth A Stone Maya Deshmukh Joseph A Ippolito Mohammad M Ghahremanpour | 2021/2/22 |
Optimization of triarylpyridinone inhibitors of the main protease of SARS-CoV-2 to low-nanomolar antiviral potency | ACS Medicinal Chemistry Letters | Chun-Hui Zhang Krasimir A Spasov Raquel A Reilly Klarissa Hollander Elizabeth A Stone | 2021/7/14 |
Identification of 14 known drugs as inhibitors of the main protease of SARS-CoV-2 | ACS medicinal chemistry letters | Mohammad M Ghahremanpour Julian Tirado-Rives Maya Deshmukh Joseph A Ippolito Chun-Hui Zhang | 2020/10/25 |
Explicit Representation of Cation−π Interactions in Force Fields with 1/r4 Nonbonded Terms | Journal of chemical theory and computation | Aysegul Turupcu Julian Tirado-Rives William L Jorgensen | 2020/10/13 |
Metadynamics as a postprocessing method for virtual screening with application to the pseudokinase domain of JAK2 | Journal of chemical information and modeling | Kara J Cutrona Ana S Newton Stefan G Krimmer Julian Tirado-Rives William L Jorgensen | 2020/5/8 |
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