Time versus temperature rescaling for coarse grain molecular dynamics simulations

2012 ◽  
Vol 136 (9) ◽  
pp. 094502 ◽  
Author(s):  
J. B. Accary ◽  
V. Teboul
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Coarse Grain ◽  
Dynamics Simulations

scholarly journals Studying Peptide Aggregation using Mixed All-Atom/Coarse Grain Molecular Dynamics Simulations

2017 ◽  
Vol 112 (3) ◽  
pp. 198a ◽  
Author(s):  
John C. Shelley ◽  
Mee Shelley ◽  
Myvizhi Esai Selvan ◽  
Jun Zhao ◽  
Volodymyr Babin ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Coarse Grain ◽  
Peptide Aggregation ◽  
Dynamics Simulations

Multiscale molecular dynamics simulations of micelles: coarse-grain for self-assembly and atomic resolution for finer details

Soft Matter ◽  
2012 ◽  
Vol 8 (34) ◽  
pp. 9005 ◽  
Author(s):  
Pilar Brocos ◽  
Paola Mendoza-Espinosa ◽  
Rolando Castillo ◽  
Jaime Mas-Oliva ◽  
Ángel Piñeiro
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Self Assembly ◽  
Atomic Resolution ◽  
Coarse Grain ◽  
Dynamics Simulations

In silico phase separation in the presence of GM1 in ternary and quaternary lipid bilayers

2015 ◽  
Vol 17 (26) ◽  
pp. 17130-17139 ◽  
Author(s):  
Ipsita Basu ◽  
Chaitali Mukhopadhyay
Keyword(s):  
Molecular Dynamics ◽  
Phase Separation ◽  
Molecular Dynamics Simulations ◽  
Lipid Bilayers ◽  
In Silico ◽  
Coarse Grain ◽  
Liquid Ordered ◽  
Dynamics Simulations ◽  
Self Aggregation ◽  
Spontaneous Phase

Using coarse grain molecular dynamics simulations, the spontaneous phase separation in the ternary (POPC [1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine]/cholesterol/GM1) and quaternary (POPC/PSM[palmitoyl sphingomyelin]/cholesterol/GM1) lipid bilayers into liquid ordered (Lo) and liquid disordered (Ld) domains, due to self-aggregation of GM1 molecules and co-localization of cholesterol with GM1 in accordance with experiments, is studied.

Sign in / Sign up

Export Citation Format

Share Document