Julian Tirado-Rives

Publication Activity (10 Years)

Years Active: 1993-2023
Publications (10 Years): 6

Top Topics

Severe Acute Respiratory Syndrome

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

Nucleic Acids Res.

Publications

Anastasia Saar, Mohammad Mehdi 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. J. Chem. Inf. Model. 63 (22) (2023)
Mohammad Mehdi Ghahremanpour, Anastasia Saar, Julian Tirado-Rives, William L. Jorgensen
Computation of Absolute Binding Free Energies for Noncovalent Inhibitors with SARS-CoV-2 Main Protease. J. Chem. Inf. Model. 63 (16) (2023)
Mohammad Mehdi Ghahremanpour, Anastasia Saar, Julian Tirado-Rives, William L. Jorgensen
Ensemble Geometric Deep Learning of Aqueous Solubility. J. Chem. Inf. Model. 63 (23) (2023)
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. J. Chem. Inf. Model. 60 (9) (2020)
Leela S. Dodda, Israel Cabeza de Vaca, Julian Tirado-Rives, William L. Jorgensen
LigParGen web server: an automatic OPLS-AA parameter generator for organic ligands. Nucleic Acids Res. 45 (Webserver-Issue) (2017)
Jonah Z. Vilseck, Jakub Kostal, Julian Tirado-Rives, William L. Jorgensen
Application of a BOSS - Gaussian interface for QM/MM simulations of Henry and methyl transfer reactions. J. Comput. Chem. 36 (27) (2015)
Markus K. Dahlgren, Patric Schyman, Julian Tirado-Rives, William L. Jorgensen
Characterization of Biaryl Torsional Energetics and its Treatment in OPLS All-Atom Force Fields. J. Chem. Inf. Model. 53 (5) (2013)
Sara E. Nichols, Robert A. Domaoal, Vinay V. Thakur, Julian Tirado-Rives, Karen S. Anderson, William L. Jorgensen
Discovery of Wild-Type and Y181C Mutant Non-nucleoside HIV-1 Reverse Transcriptase Inhibitors Using Virtual Screening with Multiple Protein Structures. J. Chem. Inf. Model. 49 (5) (2009)
Gabriela Barreiro, Cristiano Ruch Werneck Guimarães, Ivan Tubert-Brohman, Theresa M. Lyons, Julian Tirado-Rives, William L. Jorgensen
Search for Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase Using Chemical Similarity, Molecular Docking, and MM-GB/SA Scoring. J. Chem. Inf. Model. 47 (6) (2007)
William L. Jorgensen, Julian Tirado-Rives
Molecular modeling of organic and biomolecular systems using BOSS and MCPRO. J. Comput. Chem. 26 (16) (2005)
Julian Tirado-Rives, William L. Jorgensen
Viability of molecular modeling with pentium-based PCs. J. Comput. Chem. 17 (11) (1996)
David S. Maxwell, Julian Tirado-Rives, William L. Jorgensen
A Comprehensive Study of the Rotational Energy Profiles of Orgenic Systems by Ab Initio MO Theory, Forming a Base for Pepetide Torsional Parameters. J. Comput. Chem. 16 (8) (1995)
William L. Jorgensen, Ellen R. Laird, Toan B. Nguyen, Julian Tirado-Rives
Monte Carlo simulations of pure liquid substituted benzenes with OPLS potential functions. J. Comput. Chem. 14 (2) (1993)