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John L Klepeis

Showing results (1-10 of 11) with videos related to

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Current Opinion in Structural Biology|January 28, 2014
Assessing the accuracy of physical models used in protein-folding simulations: quantitative evidence from long molecular dynamics simulationsStefano Piana, John L Klepeis, David E Shaw
Proteins|December 21, 2004
Ab initio prediction of the three-dimensional structure of a de novo designed protein: a double-blind case studyJohn L Klepeis, Yinan Wei, Michael H Hecht, et al.
Current Opinion in Structural Biology|April 14, 2009
Long-timescale molecular dynamics simulations of protein structure and functionJohn L Klepeis, Kresten Lindorff-Larsen, Ron O Dror, et al.
The Journal of Chemical Physics|March 3, 2005
Gaussian split Ewald: A fast Ewald mesh method for molecular simulationYibing Shan, John L Klepeis, Michael P Eastwood, et al.
Journal of the American Chemical Society|July 10, 2003
Integrated computational and experimental approach for lead optimization and design of compstatin variants with improved activityJohn L Klepeis, Christodoulos A Floudas, Dimitrios Morikis, et al.
Proteins|April 22, 2010
Improved side-chain torsion potentials for the Amber ff99SB protein force fieldKresten Lindorff-Larsen, Stefano Piana, Kim Palmo, et al.
The Journal of Chemical Physics|February 9, 2007
A common, avoidable source of error in molecular dynamics integratorsRoss A Lippert, Kevin J Bowers, Ron O Dror, et al.
The Journal of Chemical Physics|November 4, 2017
Improving the accuracy of Møller-Plesset perturbation theory with neural networksRobert T McGibbon, Andrew G Taube, Alexander G Donchev, 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.
The Journal of Physical Chemistry. B|March 4, 2008
Microsecond molecular dynamics simulation shows effect of slow loop dynamics on backbone amide order parameters of proteinsPaul Maragakis, Kresten Lindorff-Larsen, Michael P Eastwood, et al.
Pageof 2

Showing results (1-10 of 11) with videos related to

Sort By:
Pageof 2
Current Opinion in Structural Biology|January 28, 2014
Assessing the accuracy of physical models used in protein-folding simulations: quantitative evidence from long molecular dynamics simulationsStefano Piana, John L Klepeis, David E Shaw
Proteins|December 21, 2004
Ab initio prediction of the three-dimensional structure of a de novo designed protein: a double-blind case studyJohn L Klepeis, Yinan Wei, Michael H Hecht, et al.
Current Opinion in Structural Biology|April 14, 2009
Long-timescale molecular dynamics simulations of protein structure and functionJohn L Klepeis, Kresten Lindorff-Larsen, Ron O Dror, et al.
The Journal of Chemical Physics|March 3, 2005
Gaussian split Ewald: A fast Ewald mesh method for molecular simulationYibing Shan, John L Klepeis, Michael P Eastwood, et al.
Journal of the American Chemical Society|July 10, 2003
Integrated computational and experimental approach for lead optimization and design of compstatin variants with improved activityJohn L Klepeis, Christodoulos A Floudas, Dimitrios Morikis, et al.
Proteins|April 22, 2010
Improved side-chain torsion potentials for the Amber ff99SB protein force fieldKresten Lindorff-Larsen, Stefano Piana, Kim Palmo, et al.
The Journal of Chemical Physics|February 9, 2007
A common, avoidable source of error in molecular dynamics integratorsRoss A Lippert, Kevin J Bowers, Ron O Dror, et al.
The Journal of Chemical Physics|November 4, 2017
Improving the accuracy of Møller-Plesset perturbation theory with neural networksRobert T McGibbon, Andrew G Taube, Alexander G Donchev, 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.
The Journal of Physical Chemistry. B|March 4, 2008
Microsecond molecular dynamics simulation shows effect of slow loop dynamics on backbone amide order parameters of proteinsPaul Maragakis, Kresten Lindorff-Larsen, Michael P Eastwood, et al.
Pageof 2