Molecular Dynamics Simulation of Conformational Change of Poly(Ala-Gly) from Silk I to Silk ΙΙ in Relation to Fiber Formation Mechanism ofBombyxmoriSilk Fibroin

2003 ◽  
Vol 36 (18) ◽  
pp. 6766-6772 ◽  
Author(s):  
Tsutomu Yamane ◽  
Kôsuke Umemura ◽  
Yasumoto Nakazawa ◽  
Tetsuo Asakura
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Conformational Change ◽  
Formation Mechanism ◽  
Fiber Formation ◽  
Dynamics Simulation

scholarly journals Molecular Dynamics Simulation of pH-Mediated Conformational Change in Connexin Channels

2021 ◽  
Vol 120 (3) ◽  
pp. 228a
Author(s):  
Chinmay Sen ◽  
Wesley M. Botello-Smith ◽  
Yi-Chun Lin ◽  
Yun Lyna Luo
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Conformational Change ◽  
Dynamics Simulation

scholarly journals Formation mechanism of bound rubber in elastomer nanocomposites: a molecular dynamics simulation study

RSC Advances ◽  
2018 ◽  
Vol 8 (23) ◽  
pp. 13008-13017 ◽  
Author(s):  
Jun Liu ◽  
Haixiao Wan ◽  
Huanhuan Zhou ◽  
Yancong Feng ◽  
Liqun Zhang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Formation Mechanism ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Coarse Grained ◽  
Bound Rubber ◽  
Dynamics Simulations ◽  
Coarse Grained Molecular Dynamics

The formation mechanism of the bound rubber in elastomer nanocomposites using the coarse-grained molecular-dynamics simulations.

Insight into the formation and permeability of ionic liquid unilamellar vesicles by molecular dynamics simulation

Soft Matter ◽  
2020 ◽  
Vol 16 (10) ◽  
pp. 2605-2610 ◽  
Author(s):  
Kun Jiang ◽  
Xiaomin Liu ◽  
Hongyan He ◽  
Jianji Wang ◽  
Suojiang Zhang
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulation ◽  
Formation Mechanism ◽  
Dynamics Simulation ◽  
Unilamellar Vesicles ◽  
Insight Into

The formation mechanism and permeability properties of [C12mim][Sal] vesicles are investigated by molecular dynamics simulation.

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