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Journal of the American Chemical Society|August 21, 2010
Magnesium-dependent active-site conformational selection in the Diels-Alderase ribozymeTomasz Bereźniak, Maï Zahran, Petra Imhof, et al.
Life Sciences|November 6, 2023
Targeted inhibition of MASTL kinase activity induces apoptosis in breast cancerGauri Misra, Jyotika Rajawat, Rajesh Pal, et al.
The Journal of Chemical Physics|November 12, 2013
Dynamic neutron scattering from conformational dynamics. II. Application using molecular dynamics simulation and Markov modelingZheng Yi, Benjamin Lindner, Jan-Hendrik Prinz, et al.
The Journal of Physical Chemistry. B|August 14, 2008
Solvent electrostriction-driven peptide folding revealed by quasi-Gaussian entropy theory and molecular dynamics simulationFrank Noé, Isabella Daidone, Jeremy C Smith, et al.
The Journal of Physical Chemistry. B|September 27, 2016
A Distal Disulfide Bridge in OXA-1 β-Lactamase Stabilizes the Catalytic Center and Alters the Dynamics of the Specificity Determining Ω LoopNikolay Simakov, David A Leonard, Jeremy C Smith, et al.
The Journal of Chemical Physics|November 12, 2013
Dynamic neutron scattering from conformational dynamics. I. Theory and Markov modelsBenjamin Lindner, Zheng Yi, Jan-Hendrik Prinz, et al.
Proteins|September 4, 2020
Molecular dynamics analysis of the binding of human interleukin-6 with interleukin-6 α-receptorMadhulika Gupta, Khanh Ha, Rupesh Agarwal, et al.
ACS Omega|March 16, 2026
IRIS: A Machine Learning-Based Pose Reranking Tool for RNA-Ligand DockingJason Andrew Amburn, Shalini J Rukmani, Jerry M Parks, et al.
Inorganic Chemistry|January 1, 2014
Mercury methylation by HgcA: theory supports carbanion transfer to Hg(II)Jing Zhou, Demian Riccardi, Ariana Beste, et al.
The Journal of Physical Chemistry. B|January 7, 2016
Molecular Driving Forces behind the Tetrahydrofuran-Water Miscibility GapMicholas Dean Smith, Barmak Mostofian, Loukas Petridis, et al.
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