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David E Shaw

Showing results (61-70 of 142) with videos related to

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Plos One|July 7, 2012
Evaluating the effects of cutoffs and treatment of long-range electrostatics in protein folding simulationsStefano Piana, Kresten Lindorff-Larsen, Robert M Dirks, et al.
Journal of the American Chemical Society|May 7, 2011
How does a drug molecule find its target binding site?Yibing Shan, Eric T Kim, Michael P Eastwood, et al.
Proceedings of the National Academy of Sciences of the United States of America|March 5, 2009
Identification of two distinct inactive conformations of the beta2-adrenergic receptor reconciles structural and biochemical observationsRon O Dror, Daniel H Arlow, David W Borhani, et al.
Science (New York, N.Y.)|April 14, 2012
Mechanism of voltage gating in potassium channelsMorten Ø Jensen, Vishwanath Jogini, David W Borhani, et al.
Molecular Cell|September 10, 2014
IRAK4 dimerization and trans-autophosphorylation are induced by Myddosome assemblyRyan Ferrao, Hao Zhou, Yibing Shan, et al.
Journal of Computer-Aided Molecular Design|November 25, 2006
PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary resultsSteven L Dixon, Alexander M Smondyrev, Eric H Knoll, 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|March 2, 2020
The u-series: A separable decomposition for electrostatics computation with improved accuracyCristian Predescu, Adam K Lerer, Ross A Lippert, et al.
Journal of Chemical Information and Modeling|April 22, 2023
Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray CrystallographyJack B Greisman, Lindsay Willmore, Christine Y Yeh, et al.
Cancer Research|March 12, 2009
Equally potent inhibition of c-Src and Abl by compounds that recognize inactive kinase conformationsMarkus A Seeliger, Pratistha Ranjitkar, Corynn Kasap, et al.
Pageof 15

Showing results (61-70 of 142) with videos related to

Sort By:
Pageof 15
Plos One|July 7, 2012
Evaluating the effects of cutoffs and treatment of long-range electrostatics in protein folding simulationsStefano Piana, Kresten Lindorff-Larsen, Robert M Dirks, et al.
Journal of the American Chemical Society|May 7, 2011
How does a drug molecule find its target binding site?Yibing Shan, Eric T Kim, Michael P Eastwood, et al.
Proceedings of the National Academy of Sciences of the United States of America|March 5, 2009
Identification of two distinct inactive conformations of the beta2-adrenergic receptor reconciles structural and biochemical observationsRon O Dror, Daniel H Arlow, David W Borhani, et al.
Science (New York, N.Y.)|April 14, 2012
Mechanism of voltage gating in potassium channelsMorten Ø Jensen, Vishwanath Jogini, David W Borhani, et al.
Molecular Cell|September 10, 2014
IRAK4 dimerization and trans-autophosphorylation are induced by Myddosome assemblyRyan Ferrao, Hao Zhou, Yibing Shan, et al.
Journal of Computer-Aided Molecular Design|November 25, 2006
PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary resultsSteven L Dixon, Alexander M Smondyrev, Eric H Knoll, 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|March 2, 2020
The u-series: A separable decomposition for electrostatics computation with improved accuracyCristian Predescu, Adam K Lerer, Ross A Lippert, et al.
Journal of Chemical Information and Modeling|April 22, 2023
Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray CrystallographyJack B Greisman, Lindsay Willmore, Christine Y Yeh, et al.
Cancer Research|March 12, 2009
Equally potent inhibition of c-Src and Abl by compounds that recognize inactive kinase conformationsMarkus A Seeliger, Pratistha Ranjitkar, Corynn Kasap, et al.
Pageof 15