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Steven K Burger

Showing results (11-20 of 24) with videos related to

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The Journal of Chemical Physics|July 24, 2010
Quasi-Newton parallel geometry optimization methodsSteven K Burger, Paul W Ayers
The Journal of Physical Chemistry. B|November 2, 2013
Quantum mechanics/molecular mechanics restrained electrostatic potential fittingSteven K Burger, Jeremy Schofield, Paul W Ayers
The Journal of Physical Chemistry. A|February 5, 2011
Practical calculation of molecular acidity with the aid of a reference moleculeSteven K Burger, Shubin Liu, Paul W Ayers
Journal of Computational Chemistry|May 17, 2014
Efficient parameterization of torsional terms for force fieldsSteven K Burger, Paul W Ayers, Jeremy Schofield
Journal of Chemical Information and Modeling|December 8, 2010
Quantum mechanics/molecular mechanics strategies for docking pose refinement: distinguishing between binders and decoys in cytochrome C peroxidaseSteven K Burger, David C Thompson, Paul W Ayers
The Journal of Chemical Physics|January 22, 2009
Moving least-squares enhanced Shepard interpolation for the fast marching and string methodsSteven K Burger, Yuli Liu, Utpal Sarkar, et al.
Journal of Computational Chemistry|June 26, 2014
Drug release by pH-responsive molecular tweezers: atomistic details from molecular modelingAhmed A K Mohammed, Steven K Burger, Paul W Ayers
The Journal of Physical Chemistry. B|October 6, 2011
Computational study of the binding modes of caffeine to the adenosine A2A receptorYuli Liu, Steven K Burger, Paul W Ayers, et al.
Journal of Molecular Modeling|April 7, 2017
Benchmarking pK<sub>a</sub> prediction methods for Lys115 in acetoacetate decarboxylaseYuli Liu, Anand H G Patel, Steven K Burger, et al.
The Journal of Chemical Physics|January 22, 2008
Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surfaceHao Hu, Zhenyu Lu, Jerry M Parks, et al.
Pageof 3

Showing results (11-20 of 24) with videos related to

Sort By:
Pageof 3
The Journal of Chemical Physics|July 24, 2010
Quasi-Newton parallel geometry optimization methodsSteven K Burger, Paul W Ayers
The Journal of Physical Chemistry. B|November 2, 2013
Quantum mechanics/molecular mechanics restrained electrostatic potential fittingSteven K Burger, Jeremy Schofield, Paul W Ayers
The Journal of Physical Chemistry. A|February 5, 2011
Practical calculation of molecular acidity with the aid of a reference moleculeSteven K Burger, Shubin Liu, Paul W Ayers
Journal of Computational Chemistry|May 17, 2014
Efficient parameterization of torsional terms for force fieldsSteven K Burger, Paul W Ayers, Jeremy Schofield
Journal of Chemical Information and Modeling|December 8, 2010
Quantum mechanics/molecular mechanics strategies for docking pose refinement: distinguishing between binders and decoys in cytochrome C peroxidaseSteven K Burger, David C Thompson, Paul W Ayers
The Journal of Chemical Physics|January 22, 2009
Moving least-squares enhanced Shepard interpolation for the fast marching and string methodsSteven K Burger, Yuli Liu, Utpal Sarkar, et al.
Journal of Computational Chemistry|June 26, 2014
Drug release by pH-responsive molecular tweezers: atomistic details from molecular modelingAhmed A K Mohammed, Steven K Burger, Paul W Ayers
The Journal of Physical Chemistry. B|October 6, 2011
Computational study of the binding modes of caffeine to the adenosine A2A receptorYuli Liu, Steven K Burger, Paul W Ayers, et al.
Journal of Molecular Modeling|April 7, 2017
Benchmarking pK<sub>a</sub> prediction methods for Lys115 in acetoacetate decarboxylaseYuli Liu, Anand H G Patel, Steven K Burger, et al.
The Journal of Chemical Physics|January 22, 2008
Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surfaceHao Hu, Zhenyu Lu, Jerry M Parks, et al.
Pageof 3