Novel Zinc Protein Molecular Dynamics Simulations: Steps Toward Antiangiogenesis for Cancer Treatment

1999 ◽  
Vol 5 (10) ◽  
pp. 196-202 ◽  
Author(s):  
Yuan-Ping Pang
Keyword(s):  
Molecular Dynamics ◽  
Cancer Treatment ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations ◽  
Protein Molecular Dynamics ◽  
Zinc Protein

Rational design of selective HDAC2 inhibitors for liver cancer treatment: computational insights into the selectivity mechanism through molecular dynamics simulations and QM/MM calculation

2021 ◽  
Author(s):  
Ye Yang ◽  
Baichun Hu ◽  
Yi Yang ◽  
Kaihua Gong ◽  
Huibin Wang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Liver Cancer ◽  
Cancer Treatment ◽  
Molecular Dynamics Simulations ◽  
Histone Deacetylase ◽  
Rational Design ◽  
Therapeutic Treatment ◽  
Histone Deacetylase 2 ◽  
Dynamics Simulations

The rational design of selective histone deacetylase 2 (HDAC2) inhibitors is beneficial for the therapeutic treatment of liver cancer, though HDAC2 is highly homologous to HDAC8, which may lead to...

Cyan Fluorescent Protein: Molecular Dynamics, Simulations, and Electronic Absorption Spectrum

2005 ◽  
Vol 109 (50) ◽  
pp. 24121-24133 ◽  
Author(s):  
Isabelle Demachy ◽  
Jacqueline Ridard ◽  
Hélène Laguitton-Pasquier ◽  
Elodie Durnerin ◽  
Germain Vallverdu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Absorption Spectrum ◽  
Electronic Absorption Spectrum ◽  
Molecular Dynamics Simulations ◽  
Electronic Absorption ◽  
Fluorescent Protein ◽  
Cyan Fluorescent Protein ◽  
Dynamics Simulations ◽  
Protein Molecular Dynamics
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