Search research articles
Contact Us
Filters
Showing results (21-30 of 70) with videos related to
Page
of 7
Sort By:
Journal of Chemical Theory and Computation
|
July 21, 2015
Improved Peptide and Protein Torsional Energetics with the OPLSAA Force Field
Michael J Robertson, Julian Tirado-Rives, William L Jorgensen
The Journal of Physical Chemistry. B
|
August 1, 2022
Refinement of the Optimized Potentials for Liquid Simulations Force Field for Thermodynamics and Dynamics of Liquid Alkanes
Mohammad M Ghahremanpour, Julian Tirado-Rives, William L Jorgensen
Journal of Chemical Theory and Computation
|
July 26, 2014
Evaluation of CM5 Charges for Condensed-Phase Modeling
Jonah Z Vilseck, Julian Tirado-Rives, William L Jorgensen
Biochimica Et Biophysica Acta
|
September 9, 2014
Molecular dynamics and Monte Carlo simulations for protein-ligand binding and inhibitor design
Daniel J Cole, Julian Tirado-Rives, William L Jorgensen
Bioorganic & Medicinal Chemistry
|
July 22, 2009
Vancomycin analogs: Seeking improved binding of d-Ala-d-Ala and d-Ala-d-Lac peptides by side-chain and backbone modifications
Siegfried S F Leung, Julian Tirado-Rives, William L Jorgensen
Journal of Chemical Theory and Computation
|
February 1, 2011
Effects of Water Placement on Predictions of Binding Affinities for p38α MAP Kinase Inhibitors
James Luccarelli, Julien Michel, Julian Tirado-Rives, et al.
Bioorganic & Medicinal Chemistry Letters
|
January 9, 2009
Vancomycin resistance: modeling backbone variants with D-Ala-D-Ala and D-Ala-D-Lac peptides
Siegfried S F Leung, Julian Tirado-Rives, William L Jorgensen
The Journal of Physical Chemistry. B
|
December 21, 2023
OPLS/2020 Force Field for Unsaturated Hydrocarbons, Alcohols, and Ethers
William L Jorgensen, Mohammad M Ghahremanpour, Anastasia Saar, et al.
Journal of Chemical Information and Modeling
|
August 10, 2023
Computation of Absolute Binding Free Energies for Noncovalent Inhibitors with SARS-CoV-2 Main Protease
Mohammad M Ghahremanpour, Anastasia Saar, Julian Tirado-Rives, et al.
Journal of Chemical Information and Modeling
|
November 22, 2023
Ensemble Geometric Deep Learning of Aqueous Solubility
Mohammad M Ghahremanpour, Anastasia Saar, Julian Tirado-Rives, et al.
Page
of 7
Search research articles
Search
Showing results (21-30 of 70) with videos related to
Sort By:
Page
of 7
Journal of Chemical Theory and Computation
|
July 21, 2015
Improved Peptide and Protein Torsional Energetics with the OPLSAA Force Field
Michael J Robertson, Julian Tirado-Rives, William L Jorgensen
The Journal of Physical Chemistry. B
|
August 1, 2022
Refinement of the Optimized Potentials for Liquid Simulations Force Field for Thermodynamics and Dynamics of Liquid Alkanes
Mohammad M Ghahremanpour, Julian Tirado-Rives, William L Jorgensen
Journal of Chemical Theory and Computation
|
July 26, 2014
Evaluation of CM5 Charges for Condensed-Phase Modeling
Jonah Z Vilseck, Julian Tirado-Rives, William L Jorgensen
Biochimica Et Biophysica Acta
|
September 9, 2014
Molecular dynamics and Monte Carlo simulations for protein-ligand binding and inhibitor design
Daniel J Cole, Julian Tirado-Rives, William L Jorgensen
Bioorganic & Medicinal Chemistry
|
July 22, 2009
Vancomycin analogs: Seeking improved binding of d-Ala-d-Ala and d-Ala-d-Lac peptides by side-chain and backbone modifications
Siegfried S F Leung, Julian Tirado-Rives, William L Jorgensen
Journal of Chemical Theory and Computation
|
February 1, 2011
Effects of Water Placement on Predictions of Binding Affinities for p38α MAP Kinase Inhibitors
James Luccarelli, Julien Michel, Julian Tirado-Rives, et al.
Bioorganic & Medicinal Chemistry Letters
|
January 9, 2009
Vancomycin resistance: modeling backbone variants with D-Ala-D-Ala and D-Ala-D-Lac peptides
Siegfried S F Leung, Julian Tirado-Rives, William L Jorgensen
The Journal of Physical Chemistry. B
|
December 21, 2023
OPLS/2020 Force Field for Unsaturated Hydrocarbons, Alcohols, and Ethers
William L Jorgensen, Mohammad M Ghahremanpour, Anastasia Saar, et al.
Journal of Chemical Information and Modeling
|
August 10, 2023
Computation of Absolute Binding Free Energies for Noncovalent Inhibitors with SARS-CoV-2 Main Protease
Mohammad M Ghahremanpour, Anastasia Saar, Julian Tirado-Rives, et al.
Journal of Chemical Information and Modeling
|
November 22, 2023
Ensemble Geometric Deep Learning of Aqueous Solubility
Mohammad M Ghahremanpour, Anastasia Saar, Julian Tirado-Rives, et al.
Page
of 7