Ring structure characterization of nanoporous carbon materials prepared by thermal conversion of fullerenes: Insights from ReaxFF molecular dynamics simulations

Carbon ◽  
2021 ◽  
Author(s):  
Shanshan Li ◽  
Fang Bian ◽  
Xiangying Meng ◽  
Dong Zhai ◽  
Hongwei Yang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Carbon Materials ◽  
Thermal Conversion ◽  
Ring Structure ◽  
Nanoporous Carbon ◽  
Structure Characterization ◽  
Dynamics Simulations ◽  
Nanoporous Carbon Materials

Characterization of the structural ensembles of p53 TAD2 by molecular dynamics simulations with different force fields

2018 ◽  
Vol 20 (13) ◽  
pp. 8676-8684 ◽  
Author(s):  
Yanhua Ouyang ◽  
Likun Zhao ◽  
Zhuqing Zhang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Force Fields ◽  
Structural Ensembles ◽  
Dynamics Simulations

The conformations of p53 TAD2 in complexes and sampled in simulations with five force fields.

scholarly journals Structural characterization of the saxitoxin-targeting APTSTX1 aptamer using optical tweezers and molecular dynamics simulations

PLoS ONE ◽  
2019 ◽  
Vol 14 (11) ◽  
pp. e0222468
Author(s):  
Nathalie Casanova-Morales ◽  
Nataniel L. Figueroa ◽  
Karol Alfaro ◽  
Felipe Montenegro ◽  
Nelson P. Barrera ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Optical Tweezers ◽  
Structural Characterization ◽  
Dynamics Simulations
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