Molecular simulation study with complex models of the carbohydrate binding module of Cel6A and the cellulose Iα crystal

Cellulose ◽  
2012 ◽  
Vol 19 (3) ◽  
pp. 635-645 ◽  
Author(s):  
Hirohide Shiiba ◽  
Sachio Hayashi ◽  
Toshifumi Yui
Keyword(s):  
Molecular Simulation ◽  
Simulation Study ◽  
Carbohydrate Binding ◽  
Carbohydrate Binding Module ◽  
Cellulose Iα ◽  
Complex Models

Systematic Docking Study of the Carbohydrate Binding Module Protein of Cel7A with the Cellulose Iα Crystal Model

2010 ◽  
Vol 114 (1) ◽  
pp. 49-58 ◽  
Author(s):  
Toshifumi Yui ◽  
Hirohide Shiiba ◽  
Yuya Tsutsumi ◽  
Sachio Hayashi ◽  
Tatsuhiko Miyata ◽  
...  
Keyword(s):  
Docking Study ◽  
Carbohydrate Binding ◽  
Carbohydrate Binding Module ◽  
Cellulose Iα ◽  
Crystal Model

scholarly journals Molecular simulation study of the curling behavior of the finite free-standing kaolinte layer

2021 ◽  
Vol 186 ◽  
pp. 110037
Author(s):  
Zoltán Ható ◽  
Jadran Vrabec ◽  
Tamás Kristóf
Keyword(s):  
Molecular Simulation ◽  
Simulation Study ◽  
Free Standing

Monte Carlo Molecular Simulation Study of Carbon Dioxide Sequestration into Dry and Wet Calcite Pores Containing Methane

2021 ◽  
Author(s):  
Srikanth Ravipati ◽  
Mirella Simoes Santos ◽  
Ioannis G. Economou ◽  
Amparo Galindo ◽  
George Jackson ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Monte Carlo ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Carbon Dioxide Sequestration

scholarly journals Insight into the origin of SARS-CoV-2 through structural analysis of receptor recognition: a molecular simulation study

RSC Advances ◽  
2021 ◽  
Vol 11 (15) ◽  
pp. 8718-8729
Author(s):  
Jixue Sun ◽  
Meijiang Liu ◽  
Na Yang
Keyword(s):  
Molecular Dynamics ◽  
Structural Analysis ◽  
Molecular Dynamics Simulations ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Receptor Recognition ◽  
Dynamics Simulations ◽  
Insight Into

The origin of SARS-CoV-2 through structural analysis of receptor recognition was investigated by molecular dynamics simulations.

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