Simulation of NMR data reveals that proteins' local structures are stabilized by electronic polarization

Journal of the American Chemical Society

Volumn 131, Issue 24, 2009, Pages 8636-8641

  Tong, Yan ^a   Ji, Chang G ^a   Mei, Ye ^b   Zhang, John Z H ^b,c  

^a NANJING UNIVERSITY   (China)

^b EAST CHINA NORMAL UNIVERSITY   (China)

^c NEW YORK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMBER FORCE-FIELD; BINDING DOMAIN; BOVINE PANCREATIC TRYPSIN INHIBITORS; CALBINDIN; DYNAMIC MOTIONS; DYNAMICAL STABILITY; ELECTRONIC POLARIZATION; EXPERIMENTAL DATA; FORCE FIELDS; HEN EGG WHITE LYSOZYME; HUMAN INTERLEUKIN; INTERACTION EFFECT; LOCAL STRUCTURE; MD SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; NMR DATA; ORDER PARAMETER; POLARIZATION EFFECT; PROTEIN G;

AMBER; BINDING SITES; HYDROGEN; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; POLARIZATION; PROTEINS; STABILITY; STANDARDS;

HYDROGEN BONDS;

APOPROTEIN; APROTININ; CALBINDIN; EGG WHITE; IMMUNOGLOBULIN BINDING FACTOR; INTERLEUKIN 4; LYSOZYME; BACTERIAL PROTEIN; IGG FC BINDING PROTEIN, STREPTOCOCCUS; IGG FC-BINDING PROTEIN, STREPTOCOCCUS; IMMUNOGLOBULIN; PROTEIN;

ARTICLE; CONTROLLED STUDY; ELECTRIC FIELD; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PARAMETER; POLARIZATION; PROTEIN STABILITY; PROTEIN STRUCTURE; SIMULATION; STRUCTURE ANALYSIS; ANIMAL; CATTLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; HUMAN; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE; PROTEIN TERTIARY STRUCTURE; QUANTUM THEORY; STATIC ELECTRICITY;

ANIMALS; APROTININ; BACTERIAL PROTEINS; CALCIUM-BINDING PROTEIN, VITAMIN D-DEPENDENT; CATTLE; COMPUTER SIMULATION; HUMANS; IMMUNOGLOBULINS; INTERLEUKIN-4; MODELS, MOLECULAR; MURAMIDASE; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PROTEIN STRUCTURE, TERTIARY; PROTEINS; QUANTUM THEORY; STATIC ELECTRICITY;

EID: 67650551442     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja901650r     Document Type: Article

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