Angewandte Chemie International Edition · 2011 · 18 citations · 29 references
Natural SciencesBiophysicsPhysicsBiophysical ChemistryMolecular BiophysicsMolecular PhysicsBiomolecular InteractionsLigand BindingMolecular DynamicsNucleic Acid DynamicsProtein-ligand BindingProtein-ligand InteractionsDna BreathingMolecular Dynamics Simulations Of Nucleic AcidsNucleic Acid-ligand BindingProtein-ligand Binding DynamicsProtein-ligand Complex AnalysisProtein-ligand Complex StructureStokes Shift
Riding the waves: In a DNA–ligand complex, the time-dependent Stokes shift shows initial oscillation. Molecular dynamics simulations help assign this ripple to coherent in/out motion of the ligand together with breathing of the minor groove (see picture). Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.
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Dongping Zhong, Samir Kumar Pal, Ahmed H. Zewail · Chemical Physics Letters · 2010 · 291 citations
Hydration Dynamics and Time Scales of Coupled Water−Protein Fluctuations
Tanping Li, Ali Hassanali, Ya‐Ting Kao et al. · Journal of the American Chemical Society · 2007 · 246 citations