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Julian Tirado-Rives

Showing results (31-40 of 70) with videos related to

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Journal of Chemical Information and Modeling|November 7, 2023
Assessing Metadynamics and Docking for Absolute Binding Free Energy Calculations Using Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease InhibitorsAnastasia Saar, Mohammad M Ghahremanpour, Julian Tirado-Rives, et al.
Journal of Chemical Information and Modeling|April 30, 2013
Characterization of biaryl torsional energetics and its treatment in OPLS all-atom force fieldsMarkus K Dahlgren, Patric Schyman, Julian Tirado-Rives, et al.
Journal of Computational Chemistry|August 28, 2015
Application of a BOSS-Gaussian interface for QM/MM simulations of Henry and methyl transfer reactionsJonah Z Vilseck, Jakub Kostal, Julian Tirado-Rives, et al.
The Journal of Physical Chemistry. B|June 20, 2017
Improved Description of Sulfur Charge Anisotropy in OPLS Force Fields: Model Development and ParameterizationXin Cindy Yan, Michael J Robertson, Julian Tirado-Rives, et al.
Journal of Chemical Theory and Computation|June 12, 2019
Robust Free Energy Perturbation Protocols for Creating Molecules in SolutionIsrael Cabeza de Vaca, Ricardo Zarzuela, Julian Tirado-Rives, et al.
Bioorganic & Medicinal Chemistry Letters|September 3, 2003
Activity predictions for efavirenz analogues with the K103N mutant of HIV reverse transcriptaseMarina Udier-Blagović, Edward K Watkins, Julian Tirado-Rives, et al.
Journal of Chemical Theory and Computation|May 19, 2012
Improving MM-GB/SA Scoring through the Application of the Variable Dielectric ModelKrishna Ravindranathan, Julian Tirado-Rives, William L Jorgensen, et al.
The Journal of Physical Chemistry. B|February 23, 2017
1.14*CM1A-LBCC: Localized Bond-Charge Corrected CM1A Charges for Condensed-Phase SimulationsLeela S Dodda, Jonah Z Vilseck, Julian Tirado-Rives, et al.
Journal of the American Chemical Society|May 7, 2009
In Silico Improvement of beta3-peptide inhibitors of p53 x hDM2 and p53 x hDMXJulien Michel, Elizabeth A Harker, Julian Tirado-Rives, et al.
Journal of Medicinal Chemistry|April 17, 2012
Methyl effects on protein-ligand bindingCheryl S Leung, Siegfried S F Leung, Julian Tirado-Rives, et al.
Pageof 7

Showing results (31-40 of 70) with videos related to

Sort By:
Pageof 7
Journal of Chemical Information and Modeling|November 7, 2023
Assessing Metadynamics and Docking for Absolute Binding Free Energy Calculations Using Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease InhibitorsAnastasia Saar, Mohammad M Ghahremanpour, Julian Tirado-Rives, et al.
Journal of Chemical Information and Modeling|April 30, 2013
Characterization of biaryl torsional energetics and its treatment in OPLS all-atom force fieldsMarkus K Dahlgren, Patric Schyman, Julian Tirado-Rives, et al.
Journal of Computational Chemistry|August 28, 2015
Application of a BOSS-Gaussian interface for QM/MM simulations of Henry and methyl transfer reactionsJonah Z Vilseck, Jakub Kostal, Julian Tirado-Rives, et al.
The Journal of Physical Chemistry. B|June 20, 2017
Improved Description of Sulfur Charge Anisotropy in OPLS Force Fields: Model Development and ParameterizationXin Cindy Yan, Michael J Robertson, Julian Tirado-Rives, et al.
Journal of Chemical Theory and Computation|June 12, 2019
Robust Free Energy Perturbation Protocols for Creating Molecules in SolutionIsrael Cabeza de Vaca, Ricardo Zarzuela, Julian Tirado-Rives, et al.
Bioorganic & Medicinal Chemistry Letters|September 3, 2003
Activity predictions for efavirenz analogues with the K103N mutant of HIV reverse transcriptaseMarina Udier-Blagović, Edward K Watkins, Julian Tirado-Rives, et al.
Journal of Chemical Theory and Computation|May 19, 2012
Improving MM-GB/SA Scoring through the Application of the Variable Dielectric ModelKrishna Ravindranathan, Julian Tirado-Rives, William L Jorgensen, et al.
The Journal of Physical Chemistry. B|February 23, 2017
1.14*CM1A-LBCC: Localized Bond-Charge Corrected CM1A Charges for Condensed-Phase SimulationsLeela S Dodda, Jonah Z Vilseck, Julian Tirado-Rives, et al.
Journal of the American Chemical Society|May 7, 2009
In Silico Improvement of beta3-peptide inhibitors of p53 x hDM2 and p53 x hDMXJulien Michel, Elizabeth A Harker, Julian Tirado-Rives, et al.
Journal of Medicinal Chemistry|April 17, 2012
Methyl effects on protein-ligand bindingCheryl S Leung, Siegfried S F Leung, Julian Tirado-Rives, et al.
Pageof 7