scholarly journals Molecular Dynamics Simulations of a Chimeric Androgen Receptor Protein (SPARKI) Confirm the Importance of the Dimerization Domain on DNA Binding Specificity

2020 ◽  
Vol 7 ◽  
Author(s):  
Mahdi Bagherpoor Helabad ◽  
Senta Volkenandt ◽  
Petra Imhof
Keyword(s):  
Molecular Dynamics ◽  
Androgen Receptor ◽  
Dna Binding ◽  
Molecular Dynamics Simulations ◽  
Binding Specificity ◽  
Receptor Protein ◽  
Dimerization Domain ◽  
Dna Binding Specificity ◽  
Androgen Receptor Protein ◽  
Dynamics Simulations

Unraveling cGAS catalytic mechanism upon DNA activation through molecular dynamics simulations

2021 ◽  
Author(s):  
Jordi Soler ◽  
Pedro Paiva ◽  
Maria Joao Joao Ramos ◽  
Pedro Alexandrino Fernandes ◽  
Marie Brut
Keyword(s):  
Molecular Dynamics ◽  
Dna Binding ◽  
Molecular Dynamics Simulations ◽  
Cyclic Gmp ◽  
Catalytic Mechanism ◽  
System P ◽  
Dynamics Simulations ◽  
Cyclic Dinucleotide

Cyclic GMP-AMP Synthase (cGAS) is activated upon DNA binding and catalyzes the synthesis of 2’,3’-cGAMP from GTP and ATP. This cyclic dinucleotide is a messenger that triggers the autoimmune system...

scholarly journals Molecular Dynamics Simulations of p53 DNA-Binding Domain

2007 ◽  
Vol 111 (39) ◽  
pp. 11538-11545 ◽  
Author(s):  
Qiang Lu ◽  
Yu-Hong Tan ◽  
Ray Luo
Keyword(s):  
Molecular Dynamics ◽  
Dna Binding ◽  
Molecular Dynamics Simulations ◽  
Binding Domain ◽  
Dna Binding Domain ◽  
Dynamics Simulations

scholarly journals Steered molecular dynamics simulations reveal the role of Ca2+ in regulating mechanostability of cellulose-binding proteins

2018 ◽  
Vol 20 (35) ◽  
pp. 22674-22680 ◽  
Author(s):  
Melissabye Gunnoo ◽  
Pierre-André Cazade ◽  
Adam Orlowski ◽  
Mateusz Chwastyk ◽  
Haipei Liu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Binding Proteins ◽  
Mechanical Stability ◽  
Binding Specificity ◽  
Steered Molecular Dynamics ◽  
Dynamics Simulations ◽  
Cellulose Binding ◽  
High Mechanical Stability

Cellulosome nanomachines utilise binding specificity and high mechanical stability in breaking down cellulose.

Investigation on the binding specificity of Agrocybe cylindracea galectin towards α(2,6)-linked sialyllactose by molecular modeling and molecular dynamics simulations

2019 ◽  
Vol 38 (9) ◽  
pp. 566-585
Author(s):  
Ponnusamy Parasuraman ◽  
Jeyasigamani F. A. Selvin ◽  
M. Michael Gromiha ◽  
Kazuhiko Fukui ◽  
Kasinadar Veluraja
Keyword(s):  
Molecular Dynamics ◽  
Molecular Modeling ◽  
Molecular Dynamics Simulations ◽  
Binding Specificity ◽  
Agrocybe Cylindracea ◽  
Dynamics Simulations

scholarly journals Probing the Relationship between Anti-Pneumocystis carinii Activity and DNA Binding of Bisamidines by Molecular Dynamics Simulations

Molecules ◽  
2015 ◽  
Vol 20 (4) ◽  
pp. 5942-5964 ◽  
Author(s):  
Teresa Żołek ◽  
Dorota Maciejewska ◽  
Jerzy Żabiński ◽  
Paweł Kaźmierczak ◽  
Mateusz Rezler
Keyword(s):  
Molecular Dynamics ◽  
Dna Binding ◽  
Molecular Dynamics Simulations ◽  
Pneumocystis Carinii ◽  
Dynamics Simulations ◽  
The Relationship
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