Molecular dynamics simulations of Trp side-chain conformational flexibility in the gramicidin A channel

Biopolymers ◽  
2003 ◽  
Vol 71 (5) ◽  
pp. 593-600 ◽  
Author(s):  
Nathan C. Bingham ◽  
Natasha E. C. Smith ◽  
Timothy A. Cross ◽  
David D. Busath
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Conformational Flexibility ◽  
Gramicidin A ◽  
Side Chain ◽  
Dynamics Simulations

scholarly journals Molecular dynamics simulations of the self-organization of side-chain decorated polyaromatic conjugation molecules: phase separated lamellar and columnar structures and dispersion behaviors in toluene solvent

RSC Advances ◽  
2018 ◽  
Vol 8 (20) ◽  
pp. 11134-11144 ◽  
Author(s):  
Lanyan He ◽  
Pingmei Wang ◽  
Lipeng He ◽  
Zhou Qu ◽  
Jianhui Luo ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Molecular Dynamic ◽  
Md Simulations ◽  
The Self ◽  
Self Organization ◽  
Side Chain ◽  
Dynamics Simulations

The self-organization of five model side-chain decorated polyaromatic asphaltene molecules with or without toluene solvent was investigated by means of molecular dynamic (MD) simulations.

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