Conformational Analysis of Aliskiren, a Potent Renin Inhibitor, Using High-Resolution Nuclear Magnetic Resonance and Molecular Dynamics Simulations

2011 ◽  
Vol 51 (9) ◽  
pp. 2386-2397 ◽  
Author(s):  
Minos-Timotheos Matsoukas ◽  
Panagiotis Zoumpoulakis ◽  
Theodore Tselios
Keyword(s):  
Molecular Dynamics ◽  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
High Resolution ◽  
Conformational Analysis ◽  
Molecular Dynamics Simulations ◽  
Renin Inhibitor ◽  
Dynamics Simulations ◽  
Nuclear Magnetic

scholarly journals Dynamic aspects of antibody:oligosaccharide complexes characterized by molecular dynamics simulations and saturation transfer difference nuclear magnetic resonance

Glycobiology ◽  
2011 ◽  
Vol 21 (12) ◽  
pp. 1570-1579 ◽  
Author(s):  
François-Xavier Theillet ◽  
Martin Frank ◽  
Brigitte Vulliez-Le Normand ◽  
Catherine Simenel ◽  
Sylviane Hoos ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Molecular Dynamics Simulations ◽  
Saturation Transfer ◽  
Saturation Transfer Difference ◽  
Dynamics Simulations ◽  
Nuclear Magnetic

Probing multimodal ligand binding regions on ubiquitin using nuclear magnetic resonance, chromatography, and molecular dynamics simulations

2012 ◽  
Vol 1229 ◽  
pp. 113-120 ◽  
Author(s):  
Melissa A. Holstein ◽  
Wai Keen Chung ◽  
Siddharth Parimal ◽  
Alexander S. Freed ◽  
Blanca Barquera ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Ligand Binding ◽  
Molecular Dynamics Simulations ◽  
Binding Regions ◽  
Dynamics Simulations ◽  
Nuclear Magnetic

Multiple Loop Conformations of Peptides Predicted by Molecular Dynamics Simulations Are Compatible with Nuclear Magnetic Resonance†

Biochemistry ◽  
2005 ◽  
Vol 44 (12) ◽  
pp. 4829-4840 ◽  
Author(s):  
Heiko Carstens ◽  
Christian Renner ◽  
Alexander G. Milbradt ◽  
Luis Moroder ◽  
Paul Tavan
Keyword(s):  
Molecular Dynamics ◽  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Molecular Dynamics Simulations ◽  
Loop Conformations ◽  
Dynamics Simulations ◽  
Nuclear Magnetic

scholarly journals Gramicidin A Backbone and Side Chain Dynamics Evaluated by Molecular Dynamics Simulations and Nuclear Magnetic Resonance Experiments. II: Nuclear Magnetic Resonance Experiments

2011 ◽  
Vol 115 (22) ◽  
pp. 7427-7432 ◽  
Author(s):  
Vitaly V. Vostrikov ◽  
Hong Gu ◽  
Helgi I. Ingólfsson ◽  
James F. Hinton ◽  
Olaf S. Andersen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Molecular Dynamics Simulations ◽  
Gramicidin A ◽  
Side Chain ◽  
Chain Dynamics ◽  
Dynamics Simulations ◽  
Side Chain Dynamics ◽  
Nuclear Magnetic

Probing IgG1 FC–Multimodal Nanoparticle Interactions: A Combined Nuclear Magnetic Resonance and Molecular Dynamics Simulations Approach

Langmuir ◽  
2021 ◽  
Author(s):  
Ronak B. Gudhka ◽  
Mayank Vats ◽  
Camille L. Bilodeau ◽  
Scott A. McCallum ◽  
Mark A. McCoy ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Molecular Dynamics Simulations ◽  
Nanoparticle Interactions ◽  
Dynamics Simulations ◽  
Nuclear Magnetic
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