Structural Insights into Self-Assembled Aerosol-OT Aggregates in Aqueous Media Using Atomistic Molecular Dynamics

2021 ◽  
Author(s):  
Anuradha Bhat ◽  
Michael T. Harris ◽  
Vance W. Jaeger
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Media ◽  
Aerosol Ot ◽  
Self Assembled ◽  
Structural Insights

In silico profiling and structural insights of zinc metal ion on O6-methylguanine methyl transferase and its interactions using molecular dynamics approach

2021 ◽  
Vol 27 (2) ◽  
Author(s):  
Marzieh Gharouni ◽  
Hamid Mosaddeghi ◽  
Jamshid Mehrzad ◽  
Ali Es-haghi ◽  
Alireza Motavalizadehkakhky
Keyword(s):  
Molecular Dynamics ◽  
In Silico ◽  
Metal Ion ◽  
Methyl Transferase ◽  
Zinc Metal ◽  
Structural Insights

In silico profiling and structural insights of missense mutations in RET protein kinase domain by molecular dynamics and docking approach

2014 ◽  
Vol 10 (3) ◽  
pp. 421-436 ◽  
Author(s):  
C. George Priya Doss ◽  
B. Rajith ◽  
Chiranjib Chakraboty ◽  
V. Balaji ◽  
R. Magesh ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Protein Kinase ◽  
In Silico ◽  
Kinase Domain ◽  
Missense Mutations ◽  
Protein Kinase Domain ◽  
Docking Approach ◽  
Structural Insights

Molecular dynamics investigations of self-assembled monolayers

1991 ◽  
Vol 87 (13) ◽  
pp. 2031 ◽  
Author(s):  
Joseph Hautman ◽  
James P. Bareman ◽  
Wen Mar ◽  
Michael L. Klein
Keyword(s):  
Molecular Dynamics ◽  
Self Assembled Monolayers ◽  
Assembled Monolayers ◽  
Self Assembled
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