Julian Tirado-Rives

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 18

Top Venues

The journal of physical chemistry. B

Journal of chemical information and modeling

Journal of chemical theory and computation

ACS catalysis

Yale University

Louisiana State University (PHD)

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

Affiliation History

Yale University Jul 01 1990

United States

Senior Research Scientist :: Chemistry

Education History

Louisiana State University Jan 05 1979

United States

PHD :: Chemistry

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)
Mohammad M Ghahremanpour, Julian Tirado-Rives, William L Jorgensen
Refinement of the Optimized Potentials for Liquid Simulations Force Field for Thermodynamics and Dynamics of Liquid Alkanes. The journal of physical chemistry. B 126 (31) (2022)
Chun-Hui Zhang, Krasimir A Spasov, Raquel A Reilly, Klarissa Hollander, Elizabeth A Stone, Joseph A Ippolito, Maria-Elena Liosi, Maya G Deshmukh, Julian Tirado-Rives, Shuo Zhang, Zhuobin Liang, Scott J Miller, Farren J Isaacs, Brett D Lindenbach, Karen S Anderson, William L Jorgensen
Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral Potency. ACS medicinal chemistry letters 12 (8) (2021)
Aysegul Turupcu, Julian Tirado-Rives, William L Jorgensen
Explicit Representation of Cation-π Interactions in Force Fields with 1/r4 Nonbonded Terms. Journal of chemical theory and computation 16 (11) (2020)
Kara J Cutrona, Ana S Newton, Stefan G Krimmer, Julian Tirado-Rives, William L Jorgensen
Metadynamics as a Postprocessing Method for Virtual Screening with Application to the Pseudokinase Domain of JAK2. Journal of chemical information and modeling 60 (9) (2020)
Julian Tirado-Rives, William L Jorgensen
QM/MM Calculations for the Cl- + CH3Cl SN2 Reaction in Water Using CM5 Charges and Density Functional Theory. The journal of physical chemistry. A 123 (27) (2019)
Israel Cabeza de Vaca, Ricardo Zarzuela, Julian Tirado-Rives, William L Jorgensen
Robust Free Energy Perturbation Protocols for Creating Molecules in Solution. Journal of chemical theory and computation 15 (7) (2019)
Yue Qian, Israel Cabeza de Vaca, Jonah Z Vilseck, Daniel J Cole, Julian Tirado-Rives, William L Jorgensen
Absolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Druglike Inhibitor. The journal of physical chemistry. B 123 (41) (2019)
Michael J Robertson, Yue Qian, Matthew C Robinson, Julian Tirado-Rives, William L Jorgensen
Development and Testing of the OPLS-AA/M Force Field for RNA. Journal of chemical theory and computation 15 (4) (2019)
Leela S Dodda, Julian Tirado-Rives, William L Jorgensen
Unbinding Dynamics of Non-Nucleoside Inhibitors from HIV-1 Reverse Transcriptase. The journal of physical chemistry. B 123 (8) (2019)
Xin Cindy Yan, Anthony J Metrano, Michael J Robertson, Nadia C Abascal, Julian Tirado-Rives, Scott J Miller, William L Jorgensen
Molecular Dynamics Simulations of a Conformationally Mobile Peptide-Based Catalyst for Atroposelective Bromination. ACS catalysis 8 (11) (2018)
Israel Cabeza de Vaca, Yue Qian, Jonah Z Vilseck, Julian Tirado-Rives, William L Jorgensen
Enhanced Monte Carlo Methods for Modeling Proteins Including Computation of Absolute Free Energies of Binding. Journal of chemical theory and computation 14 (6) (2018)
Xin Cindy Yan, Michael J Robertson, Julian Tirado-Rives, William L Jorgensen
Improved Description of Sulfur Charge Anisotropy in OPLS Force Fields: Model Development and Parameterization. The journal of physical chemistry. B 121 (27) (2017)
Leela S Dodda, Jonah Z Vilseck, Julian Tirado-Rives, William L Jorgensen
1.14*CM1A-LBCC: Localized Bond-Charge Corrected CM1A Charges for Condensed-Phase Simulations. The journal of physical chemistry. B 121 (15) (2017)

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Publication Activity (10 Years)

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Julian Tirado-Rives