scholarly journals Medium-Range Structural Organization of Phosphorus-Bearing Borosilicate Glasses Revealed by Advanced Solid-State NMR Experiments and MD Simulations: Consequences of B/Si Substitutions

2017 ◽  
Vol 121 (41) ◽  
pp. 9737-9752 ◽  
Author(s):  
Yang Yu ◽  
Baltzar Stevensson ◽  
Mattias Edén
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Structural Organization ◽  
Md Simulations ◽  
Borosilicate Glasses ◽  
Medium Range

Best of Two Worlds? How MD Simulations of Amphiphilic Helical Peptides in Membranes Can Complement Data from Oriented Solid-State NMR

2018 ◽  
Vol 14 (11) ◽  
pp. 6002-6014 ◽  
Author(s):  
Sabine Reißer ◽  
Erik Strandberg ◽  
Thomas Steinbrecher ◽  
Marcus Elstner ◽  
Anne S. Ulrich
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Md Simulations ◽  
Helical Peptides

Irregular structure of the HIV fusion peptide in membranes demonstrated by solid-state NMR and MD simulations

2011 ◽  
Vol 40 (4) ◽  
pp. 529-543 ◽  
Author(s):  
Dorit Grasnick ◽  
Ulrich Sternberg ◽  
Erik Strandberg ◽  
Parvesh Wadhwani ◽  
Anne S. Ulrich
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Md Simulations ◽  
Fusion Peptide ◽  
Irregular Structure

Model-free estimation of the effective correlation time for C–H bond reorientation in amphiphilic bilayers: 1H–13C solid-state NMR and MD simulations

2015 ◽  
Vol 142 (4) ◽  
pp. 044905 ◽  
Author(s):  
Tiago Mendes Ferreira ◽  
O. H. Samuli Ollila ◽  
Roberta Pigliapochi ◽  
Aleksandra P. Dabkowska ◽  
Daniel Topgaard
Keyword(s):  
Solid State ◽  
Correlation Time ◽  
Solid State Nmr ◽  
Md Simulations ◽  
Model Free

scholarly journals A combination of solid-state NMR and MD simulations reveals the binding mode of a rhomboid protease inhibitor

2021 ◽  
Author(s):  
Claudia Bohg ◽  
Carl Öster ◽  
Tillmann Utesch ◽  
Susanne Bischoff ◽  
Sascha Lange ◽  
...  
Keyword(s):  
Solid State ◽  
Protease Inhibitor ◽  
Solid State Nmr ◽  
Md Simulations ◽  
Binding Mode ◽  
Selective Inhibitors ◽  
Intramembrane Proteolysis ◽  
Rhomboid Protease ◽  
Intramembrane Proteases ◽  
Pharmacological Targets

Intramembrane proteolysis plays a fundamental role in many biological and pathological processes. Intramembrane proteases thus represent promising pharmacological targets, but few selective inhibitors have been identified. This is in contrast...

Short- and Medium-Range Order in Photothermal Refractive Glass Revealed by Solid-State NMR Techniques

2019 ◽  
Vol 123 (19) ◽  
pp. 12411-12422 ◽  
Author(s):  
Lena Marie Funke ◽  
Oliver Janka ◽  
Rainer Pöttgen ◽  
Leonid Glebov ◽  
Michael Ryan Hansen ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Range Order ◽  
Medium Range Order ◽  
Medium Range ◽  
Nmr Techniques
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