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...

A novel chitin‐binding mode of the chitin‐binding domain of chitinase A1 from Bacillus circulans WL ‐12 revealed by solid‐state NMR

FEBS Letters ◽  
2018 ◽  
Vol 592 (18) ◽  
pp. 3173-3182 ◽  
Author(s):  
Hiroki Tanaka ◽  
Hideo Akutsu ◽  
Izumi Yabuta ◽  
Masashi Hara ◽  
Hayuki Sugimoto ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Binding Mode ◽  
Binding Domain ◽  
Bacillus Circulans ◽  
Chitin Binding Domain

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

Structure and Dynamics of the Rhomboid Protease GlpG in Liposomes Studied by Solid-State NMR

2019 ◽  
Vol 141 (43) ◽  
pp. 17314-17321 ◽  
Author(s):  
Chaowei Shi ◽  
Carl Öster ◽  
Claudia Bohg ◽  
Longmei Li ◽  
Sascha Lange ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Rhomboid Protease ◽  
Structure And Dynamics

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 Ceramide–lipid interactions studied by MD simulations and solid-state NMR

2014 ◽  
Vol 1838 (10) ◽  
pp. 2511-2519 ◽  
Author(s):  
Bercem Dutagaci ◽  
Johanna Becker-Baldus ◽  
José D. Faraldo-Gómez ◽  
Clemens Glaubitz
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Md Simulations ◽  
Lipid Interactions
Sign in / Sign up

Export Citation Format

Share Document