Correlating nitrile IR frequencies to local electrostatics quantifies noncovalent interactions of peptides and proteins

Journal of Physical Chemistry B

Volumn 120, Issue 17, 2016, Pages 4034-4046

  Deb, Pranab ^a   Haldar, Tapas ^a   Kashid, Somnath M ^a   Banerjee, Subhrashis ^a   Chakrabarty, Suman ^a   Bagchi, Sayan ^a  

^a NATIONAL CHEMICAL LABORATORY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CYANIDES; ELECTRIC FIELD MEASUREMENT; ELECTRIC FIELDS; ELECTROSTATICS; INFRARED SPECTROSCOPY; IONS; MOLECULAR DYNAMICS; MOLECULES; PEPTIDES; PROTEINS;

ATOMISTIC MOLECULAR DYNAMICS SIMULATIONS; BONDING ENVIRONMENT; ELECTROSTATIC ENVIRONMENTS; FREQUENCY CORRELATION; H-BONDING INTERACTION; LOCAL ELECTRIC FIELD; MOLECULAR UNDERSTANDING; NON-COVALENT INTERACTION;

HYDROGEN BONDS;

NITRILE; PEPTIDE; PROTEIN;

CHEMISTRY; HYDROGEN BOND; INFRARED SPECTROSCOPY; MOLECULAR DYNAMICS; STATIC ELECTRICITY;

HYDROGEN BONDING; MOLECULAR DYNAMICS SIMULATION; NITRILES; PEPTIDES; PROTEINS; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; STATIC ELECTRICITY;

EID: 84969504494     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/acs.jpcb.6b02732     Document Type: Article

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