Fundamental reaction pathway for peptide metabolism by proteasome: Insights from first-principles quantum mechanical/molecular mechanical free energy calculations

Journal of Physical Chemistry B

Volumn 117, Issue 43, 2013, Pages 13418-13434

  Wei, Donghui ^a,b   Fang, Lei ^b   Tang, Mingsheng ^a   Zhan, Chang Guo ^b  

^a ZHENGZHOU UNIVERSITY   (China)

^b University of Kentucky   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION FREE ENERGY; COMPUTATIONAL RESULTS; FREE-ENERGY CALCULATIONS; NEGATIVELY CHARGED; NUCLEOPHILIC ATTACK; PROTEIN DEGRADATION; QUANTUM MECHANICAL/MOLECULAR MECHANICAL; RATE DETERMINING STEP;

CARBON; CHEMICAL ACTIVATION; ENERGY BARRIERS; FREE ENERGY; MOLECULAR MODELING; MOLECULES; PEPTIDES; PROTEOLYSIS; PROTON TRANSFER;

CALCULATIONS;

PEPTIDE; PROTEASOME;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; METABOLISM; QUANTUM THEORY;

MODELS, MOLECULAR; MOLECULAR STRUCTURE; PEPTIDES; PROTEASOME ENDOPEPTIDASE COMPLEX; QUANTUM THEORY;

EID: 84887101859     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp405337v     Document Type: Article

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