Quantum chemical quantification of weakly polar interaction energies in the TC5b miniprotein

Journal of Physical Chemistry B

Volumn 112, Issue 11, 2008, Pages 3503-3508

  Hatfield, Marcus P D ^a,b   Palermo, Nicholas Y ^b   Csontos, József ^b   Murphy, Richard F ^b   Lovas, Sándor ^b  

^a NEBRASKA WESLEYAN UNIVERSITY   (United States)

^b CREIGHTON UNIVERSITY SCHOOL OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMIDES; ARGON; AROMATIC COMPOUNDS; AROMATIZATION; DATA STRUCTURES; HYDROGEN; NUCLEAR MAGNETIC RESONANCE; QUANTUM CHEMISTRY;

(E ,2E) THEORY; INDIVIDUAL (PSS 544-7); INTER-RESIDUE INTERACTIONS; MOLECULAR FRAGMENTATION; NMR STRUCTURES; PARTIAL STRUCTURES; POLAR INTERACTIONS; PROTEIN DATA BANK (PDB); QUANTUM CHEMICAL (QC) CALCULATIONS; QUANTUM CHEMICALS; SIDE CHAINS; STRENGTH (IGC: D5/D6); TERTIARY STRUCTURES;

FLOW INTERACTIONS;

ALIPHATIC HYDROCARBON; AMIDE; AROMATIC HYDROCARBON; HYDROGEN; PEPTIDE; RECOMBINANT PROTEIN; TC5B PROTEIN, SYNTHETIC; TRYPTOPHAN;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMISTRY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; THERMODYNAMICS;

ALGORITHMS; AMIDES; HYDROCARBONS, ACYCLIC; HYDROCARBONS, AROMATIC; HYDROGEN; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL; PEPTIDES; QUANTUM THEORY; RECOMBINANT PROTEINS; THERMODYNAMICS; TRYPTOPHAN;

EID: 45949106993     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp077674h     Document Type: Article

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