Molecular Descriptors for the Structural Analysis of Enzyme Active Sites

2016 ◽  
pp. 489-524
Keyword(s):  
Structural Analysis ◽  
Active Sites ◽  
Molecular Descriptors ◽  
Enzyme Active Sites

2 Metal Ions at Enzyme Active Sites

The Enzymes ◽  
1992 ◽  
pp. 63-94 ◽  
Author(s):  
Joseph J. Villafranca ◽  
Thomas Nowak
Keyword(s):  
Metal Ions ◽  
Active Sites ◽  
Enzyme Active Sites

Challenges in constructing accurate methods for hydrogen transfer reactions in large biological assemblies: rare events sampling for mechanistic discovery and tensor networks for quantum nuclear effects

2020 ◽  
Vol 221 ◽  
pp. 379-405 ◽  
Author(s):  
Nicole DeGregorio ◽  
Srinivasan S. Iyengar
Keyword(s):  
Active Sites ◽  
Hydrogen Transfer ◽  
Rare Events ◽  
Transfer Reactions ◽  
Tensor Networks ◽  
Enzyme Active Sites ◽  
Nuclear Effects ◽  
Hydrogen Transfer Reactions

We present two methods that address the computational complexities arising in hydrogen transfer reactions in enzyme active sites.

scholarly journals A study on the flexibility of enzyme active sites

2011 ◽  
Vol 12 (Suppl 1) ◽  
pp. S32 ◽  
Author(s):  
Yi-Zhong Weng ◽  
Darby Chang ◽  
Yu-Feng Huang ◽  
Chih-Wei Lin
Keyword(s):  
Active Sites ◽  
Enzyme Active Sites
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