Julian Tirado-Rives

Orcid: 0000-0001-7330-189X

According to our database1, Julian Tirado-Rives authored at least 13 papers between 1993 and 2023.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of five.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
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Links

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Bibliography

2023
Ensemble Geometric Deep Learning of Aqueous Solubility.
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
LigParGen web server: an automatic OPLS-AA parameter generator for organic ligands.
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
Molecular modeling of organic and biomolecular systems using BOSS and MCPRO.
J. Comput. Chem., 2005

1996
Viability of molecular modeling with pentium-based PCs.
J. Comput. Chem., 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


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