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The Journal of Physical Chemistry. A
|
June 28, 2019
QM/MM Calculations for the Cl<sup>-</sup> + CH<sub>3</sub>Cl S<sub>N</sub>2 Reaction in Water Using CM5 Charges and Density Functional Theory
Julian Tirado-Rives, William L Jorgensen
Bioorganic & Medicinal Chemistry Letters
|
September 22, 2000
Computational binding studies of human pp60c-src SH2 domain with a series of nonpeptide, phosphophenyl-containing ligands
D J Price, W L Jorgensen
Journal of Chemical Theory and Computation
|
September 28, 2010
E/Z Energetics for Molecular Modeling and Design
John P Terhorst, William L Jorgensen
Journal of the American Chemical Society
|
February 12, 2004
Polypeptide folding using Monte Carlo sampling, concerted rotation, and continuum solvation
Jakob P Ulmschneider, William L Jorgensen
Radiation Data and Reports
|
July 1, 1974
Environmental radiation effects of nuclear facilities in New York State
M S Terpilak, B L Jorgensen
Journal of Computational Chemistry
|
October 4, 2005
Molecular modeling of organic and biomolecular systems using BOSS and MCPRO
William L Jorgensen, Julian Tirado-Rives
Journal of Medicinal Chemistry
|
September 29, 2006
Contribution of conformer focusing to the uncertainty in predicting free energies for protein-ligand binding
Julian Tirado-Rives, William L Jorgensen
Journal of Chemical Theory and Computation
|
December 2, 2015
Performance of B3LYP Density Functional Methods for a Large Set of Organic Molecules
Julian Tirado-Rives, William L Jorgensen
Journal of Chemical Theory and Computation
|
November 26, 2009
Perspective on Free-Energy Perturbation Calculations for Chemical Equilibria
William L Jorgensen, Laura L Thomas
The Journal of Physical Chemistry. B
|
June 18, 2025
Free Energies of Solvation in Benzene and Hexafluorobenzene: Is Explicit Polarization Needed?
William L Jorgensen, Julian Tirado-Rives
Page
of 66
Search research articles
Search
Showing results (81-90 of 653) with videos related to
Sort By:
Page
of 66
The Journal of Physical Chemistry. A
|
June 28, 2019
QM/MM Calculations for the Cl<sup>-</sup> + CH<sub>3</sub>Cl S<sub>N</sub>2 Reaction in Water Using CM5 Charges and Density Functional Theory
Julian Tirado-Rives, William L Jorgensen
Bioorganic & Medicinal Chemistry Letters
|
September 22, 2000
Computational binding studies of human pp60c-src SH2 domain with a series of nonpeptide, phosphophenyl-containing ligands
D J Price, W L Jorgensen
Journal of Chemical Theory and Computation
|
September 28, 2010
E/Z Energetics for Molecular Modeling and Design
John P Terhorst, William L Jorgensen
Journal of the American Chemical Society
|
February 12, 2004
Polypeptide folding using Monte Carlo sampling, concerted rotation, and continuum solvation
Jakob P Ulmschneider, William L Jorgensen
Radiation Data and Reports
|
July 1, 1974
Environmental radiation effects of nuclear facilities in New York State
M S Terpilak, B L Jorgensen
Journal of Computational Chemistry
|
October 4, 2005
Molecular modeling of organic and biomolecular systems using BOSS and MCPRO
William L Jorgensen, Julian Tirado-Rives
Journal of Medicinal Chemistry
|
September 29, 2006
Contribution of conformer focusing to the uncertainty in predicting free energies for protein-ligand binding
Julian Tirado-Rives, William L Jorgensen
Journal of Chemical Theory and Computation
|
December 2, 2015
Performance of B3LYP Density Functional Methods for a Large Set of Organic Molecules
Julian Tirado-Rives, William L Jorgensen
Journal of Chemical Theory and Computation
|
November 26, 2009
Perspective on Free-Energy Perturbation Calculations for Chemical Equilibria
William L Jorgensen, Laura L Thomas
The Journal of Physical Chemistry. B
|
June 18, 2025
Free Energies of Solvation in Benzene and Hexafluorobenzene: Is Explicit Polarization Needed?
William L Jorgensen, Julian Tirado-Rives
Page
of 66