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Richard A Friesner

Showing results (21-30 of 182) with videos related to

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Journal of Chemical Theory and Computation|January 26, 2016
Evaluation of the Performance of the B3LYP, PBE0, and M06 DFT Functionals, and DBLOC-Corrected Versions, in the Calculation of Redox Potentials and Spin Splittings for Transition Metal Containing SystemsDilek Coskun, Steven V Jerome, Richard A Friesner
Proceedings of the National Academy of Sciences of the United States of America|February 7, 2012
On achieving high accuracy and reliability in the calculation of relative protein-ligand binding affinitiesLingle Wang, B J Berne, Richard A Friesner
The Journal of Chemical Physics|July 16, 2021
Highly efficient implementation of the analytical gradients of pseudospectral time-dependent density functional theoryYixiang Cao, Mathew D Halls, Richard A Friesner
Current Protocols in Bioinformatics|April 23, 2008
Flexible ligand docking with GlideMatthew P Repasky, Mee Shelley, Richard A Friesner
Journal of Computational Chemistry|November 2, 2005
What role do surfaces play in GB models? A new-generation of surface-generalized born model based on a novel gaussian surface for biomoleculesZhiyun Yu, Matthew P Jacobson, Richard A Friesner
Journal of Computational Chemistry|January 28, 2003
A computationally inexpensive modification of the point dipole electrostatic polarization model for molecular simulationsGeorge A Kaminski, Richard A Friesner, Ruhong Zhou
Proteins|March 30, 2004
High-resolution prediction of protein helix positions and orientationsXin Li, Matthew P Jacobson, Richard A Friesner
Journal of the American Chemical Society|March 27, 2003
Reversible dioxygen binding to hemerythrinMaria Wirstam, Stephen J Lippard, Richard A Friesner
The Journal of Chemical Physics|October 4, 2006
A localized orbital analysis of the thermochemical errors in hybrid density functional theory: achieving chemical accuracy via a simple empirical correction schemeRichard A Friesner, Eric H Knoll, Yixiang Cao
The Journal of Physical Chemistry. B|July 1, 2011
Replica exchange with solute scaling: a more efficient version of replica exchange with solute tempering (REST2)Lingle Wang, Richard A Friesner, B J Berne
Pageof 19

Showing results (21-30 of 182) with videos related to

Sort By:
Pageof 19
Journal of Chemical Theory and Computation|January 26, 2016
Evaluation of the Performance of the B3LYP, PBE0, and M06 DFT Functionals, and DBLOC-Corrected Versions, in the Calculation of Redox Potentials and Spin Splittings for Transition Metal Containing SystemsDilek Coskun, Steven V Jerome, Richard A Friesner
Proceedings of the National Academy of Sciences of the United States of America|February 7, 2012
On achieving high accuracy and reliability in the calculation of relative protein-ligand binding affinitiesLingle Wang, B J Berne, Richard A Friesner
The Journal of Chemical Physics|July 16, 2021
Highly efficient implementation of the analytical gradients of pseudospectral time-dependent density functional theoryYixiang Cao, Mathew D Halls, Richard A Friesner
Current Protocols in Bioinformatics|April 23, 2008
Flexible ligand docking with GlideMatthew P Repasky, Mee Shelley, Richard A Friesner
Journal of Computational Chemistry|November 2, 2005
What role do surfaces play in GB models? A new-generation of surface-generalized born model based on a novel gaussian surface for biomoleculesZhiyun Yu, Matthew P Jacobson, Richard A Friesner
Journal of Computational Chemistry|January 28, 2003
A computationally inexpensive modification of the point dipole electrostatic polarization model for molecular simulationsGeorge A Kaminski, Richard A Friesner, Ruhong Zhou
Proteins|March 30, 2004
High-resolution prediction of protein helix positions and orientationsXin Li, Matthew P Jacobson, Richard A Friesner
Journal of the American Chemical Society|March 27, 2003
Reversible dioxygen binding to hemerythrinMaria Wirstam, Stephen J Lippard, Richard A Friesner
The Journal of Chemical Physics|October 4, 2006
A localized orbital analysis of the thermochemical errors in hybrid density functional theory: achieving chemical accuracy via a simple empirical correction schemeRichard A Friesner, Eric H Knoll, Yixiang Cao
The Journal of Physical Chemistry. B|July 1, 2011
Replica exchange with solute scaling: a more efficient version of replica exchange with solute tempering (REST2)Lingle Wang, Richard A Friesner, B J Berne
Pageof 19