The use of time-averaged 3JHH restrained molecular dynamics (tar-MD) simulations for the conformational analysis of five-membered ring systems: Methodology and applications

2009 ◽  
pp. NA-NA ◽  
Author(s):  
Pieter M. S. Hendrickx ◽  
Francisco Corzana ◽  
Stefaan Depraetere ◽  
Dirk A. Tourwé ◽  
Koen Augustyns ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Conformational Analysis ◽  
Md Simulations ◽  
Membered Ring ◽  
Systems Methodology ◽  
Ring Systems ◽  
Use Of Time ◽  
Restrained Molecular Dynamics

Conformational Analysis of Neuropeptide Y Segments by CD, NMR Spectroscopy and Restrained Molecular Dynamics

1996 ◽  
Vol 2 (3) ◽  
pp. 176-193 ◽  
Author(s):  
MARION GURRATH ◽  
ALESSANDRO BISELLO ◽  
KATIA BOTTAZZO ◽  
CHUN‐WA CHUNG ◽  
STEFANO MAMMI ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Nmr Spectroscopy ◽  
Conformational Analysis ◽  
Neuropeptide Y ◽  
Restrained Molecular Dynamics

Conformational Analysis of Neuropeptide Y Segments by CD, NMR Spectroscopy and Restrained Molecular Dynamics

1996 ◽  
Vol 2 (3) ◽  
pp. 176-193 ◽  
Author(s):  
Marion Gurrath ◽  
Alessandro Bisello ◽  
Katia Bottazzo ◽  
Chun-Wa Chung ◽  
Stefano Mammi ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Nmr Spectroscopy ◽  
Conformational Analysis ◽  
Neuropeptide Y ◽  
Restrained Molecular Dynamics
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