Theoretical modeling of peptide α-helical circular dichroism in aqueous solution

Journal of Physical Chemistry A

Volumn 115, Issue 9, 2011, Pages 1734-1742

  Kaminský, Jakub ^a   Kubelka, Jan ^b   Bouř, Petr ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

^b UNIVERSITY OF WYOMING   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACID RESIDUES; AQUEOUS SOLUTIONS; BASIS SETS; CD SPECTRA; CIRCULAR DICHROISM; CIRCULAR DICHROISM SPECTRA; CLUSTER SIMULATIONS; CONFIGURATION INTERACTIONS; EXPERIMENTAL SPECTRA; HELIX-HELIX INTERACTIONS; METAL BINDING; MODEL SYSTEM; MUTUAL POLARIZATION; OLIGOPEPTIDES; PEPTIDE CHAIN; SECONDARY STRUCTURES; SIDE CHAINS; SINGLE EXCITATION; SOLVENT ENVIRONMENTS; SOLVENT MODEL; SPECTRAL PROFILE; SPECTRAL SHAPES; TEMPERATURE FLUCTUATION; THEORETICAL APPROACH; THEORETICAL MODELING; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TRANSITION DIPOLE COUPLING;

AMINO ACIDS; DENSITY FUNCTIONAL THEORY; DICHROISM; EXCITED STATES; MOLECULAR DYNAMICS;

PEPTIDES;

METAL; PEPTIDE; SOLVENT; WATER;

ARTICLE; CHEMISTRY; CIRCULAR DICHROISM; DRUG EFFECT; HYDROGEN BOND; MOLECULAR DYNAMICS; PROTEIN SECONDARY STRUCTURE; PROTEIN STABILITY; QUANTUM THEORY; SOLUTION AND SOLUBILITY;

CIRCULAR DICHROISM; HYDROGEN BONDING; METALS; MOLECULAR DYNAMICS SIMULATION; PEPTIDES; PROTEIN STABILITY; PROTEIN STRUCTURE, SECONDARY; QUANTUM THEORY; SOLUTIONS; SOLVENTS; WATER;

EID: 79952274927     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp110418w     Document Type: Article

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