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Brent A Gregersen

Showing results (1-10 of 12) with videos related to

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The Journal of Chemical Physics|September 16, 2005
High-order discretization schemes for biochemical applications of boundary element solvation and variational electrostatic projection methodsBrent A Gregersen, Darrin M York
Journal of Computational Chemistry|November 8, 2005
A charge-scaling implementation of the variational electrostatic projection methodBrent A Gregersen, Darrin M York
The Journal of Physical Chemistry. B|July 21, 2006
Variational electrostatic projection (VEP) methods for efficient modeling of the macromolecular electrostatic and solvation environment in activated dynamics simulationsBrent A Gregersen, Darrin M York
Journal of the American Chemical Society|June 17, 2004
Hybrid QM/MM study of thio effects in transphosphorylation reactions: the role of solvationBrent A Gregersen, Xabier Lopez, Darrin M York
Journal of the American Chemical Society|June 12, 2003
Hybrid QM/MM study of thio effects in transphosphorylation reactionsBrent A Gregersen, Xabier Lopez, Darrin M York
The Journal of Physical Chemistry. B|July 21, 2006
Density functional study of the in-line mechanism of methanolysis of cyclic phosphate and thiophosphate esters in solution: insight into thio effects in RNA transesterificationYun Liu, Brent A Gregersen, Xabier Lopez, et al.
Biochemistry|August 16, 2006
Transesterification thio effects of phosphate diesters: free energy barriers and kinetic and equilibrium isotope effects from density-functional theoryYun Liu, Brent A Gregersen, Alvan Hengge, et al.
The Journal of Physical Chemistry. B|July 21, 2006
Smooth solvation method for d-orbital semiempirical calculations of biological reactions. 1. ImplementationJana Khandogin, Brent A Gregersen, Walter Thiel, et al.
The Journal of Physical Chemistry. B|July 21, 2006
Smooth solvation method for d-orbital semiempirical calculations of biological reactions. 2. Application to transphosphorylation thio effects in solutionBrent A Gregersen, Jana Khandogin, Walter Thiel, et al.
Scientific Data|February 11, 2021
Quantum chemical benchmark databases of gold-standard dimer interaction energiesAlexander G Donchev, Andrew G Taube, Elizabeth Decolvenaere, et al.
Pageof 2

Showing results (1-10 of 12) with videos related to

Sort By:
Pageof 2
The Journal of Chemical Physics|September 16, 2005
High-order discretization schemes for biochemical applications of boundary element solvation and variational electrostatic projection methodsBrent A Gregersen, Darrin M York
Journal of Computational Chemistry|November 8, 2005
A charge-scaling implementation of the variational electrostatic projection methodBrent A Gregersen, Darrin M York
The Journal of Physical Chemistry. B|July 21, 2006
Variational electrostatic projection (VEP) methods for efficient modeling of the macromolecular electrostatic and solvation environment in activated dynamics simulationsBrent A Gregersen, Darrin M York
Journal of the American Chemical Society|June 17, 2004
Hybrid QM/MM study of thio effects in transphosphorylation reactions: the role of solvationBrent A Gregersen, Xabier Lopez, Darrin M York
Journal of the American Chemical Society|June 12, 2003
Hybrid QM/MM study of thio effects in transphosphorylation reactionsBrent A Gregersen, Xabier Lopez, Darrin M York
The Journal of Physical Chemistry. B|July 21, 2006
Density functional study of the in-line mechanism of methanolysis of cyclic phosphate and thiophosphate esters in solution: insight into thio effects in RNA transesterificationYun Liu, Brent A Gregersen, Xabier Lopez, et al.
Biochemistry|August 16, 2006
Transesterification thio effects of phosphate diesters: free energy barriers and kinetic and equilibrium isotope effects from density-functional theoryYun Liu, Brent A Gregersen, Alvan Hengge, et al.
The Journal of Physical Chemistry. B|July 21, 2006
Smooth solvation method for d-orbital semiempirical calculations of biological reactions. 1. ImplementationJana Khandogin, Brent A Gregersen, Walter Thiel, et al.
The Journal of Physical Chemistry. B|July 21, 2006
Smooth solvation method for d-orbital semiempirical calculations of biological reactions. 2. Application to transphosphorylation thio effects in solutionBrent A Gregersen, Jana Khandogin, Walter Thiel, et al.
Scientific Data|February 11, 2021
Quantum chemical benchmark databases of gold-standard dimer interaction energiesAlexander G Donchev, Andrew G Taube, Elizabeth Decolvenaere, et al.
Pageof 2