Julian Tirado-Rives
Orcid: 0000-0001-7330-189X
According to our database1,
Julian Tirado-Rives
authored at least 13 papers
between 1993 and 2023.
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Bibliography
2023
J. Chem. Inf. Model., December, 2023
Assessing Metadynamics and Docking for Absolute Binding Free Energy Calculations Using Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors.
J. Chem. Inf. Model., November, 2023
Computation of Absolute Binding Free Energies for Noncovalent Inhibitors with SARS-CoV-2 Main Protease.
J. Chem. Inf. Model., August, 2023
2020
Metadynamics as a Postprocessing Method for Virtual Screening with Application to the Pseudokinase Domain of JAK2.
J. Chem. Inf. Model., 2020
2017
Nucleic Acids Res., 2017
2015
Application of a BOSS - Gaussian interface for QM/MM simulations of Henry and methyl transfer reactions.
J. Comput. Chem., 2015
2013
Characterization of Biaryl Torsional Energetics and its Treatment in OPLS All-Atom Force Fields.
J. Chem. Inf. Model., 2013
2009
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., 2009
2007
Search for Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase Using Chemical Similarity, Molecular Docking, and MM-GB/SA Scoring.
J. Chem. Inf. Model., 2007
2005
J. Comput. Chem., 2005
1996
1995
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., 1995
1993
Monte Carlo simulations of pure liquid substituted benzenes with OPLS potential functions.
J. Comput. Chem., 1993