The amide III vibrational circular dichroism band as a probe to detect conformational preferences of alanine dipeptide in water

Biopolymers

Volumn 101, Issue 7, 2014, Pages 814-818

  Mirtič, Andreja ^a   Merzel, Franci ^a   Grdadolnik, Jože ^a,b  

^a NATIONAL INSTITUTE OF CHEMISTRY   (Slovenia)

^b EN FIST   (Slovenia)

Author keywords

alanine dipeptide; backbone conformations; DFT calculations; VCD;

Indexed keywords

AMIDES; AMINO ACIDS; DENSITY FUNCTIONAL THEORY; DICHROISM; HYDROGEN BONDS; MOLECULES; PEPTIDES;

ALANINE DIPEPTIDES; CONFORMATIONAL PREFERENCES; DFT CALCULATION; EXPLICIT WATER MOLECULES; HYDROGEN-BONDED WATER MOLECULES; SPECTRAL CHARACTERISTICS; VCD; VIBRATIONAL CIRCULAR DICHROISM;

CONFORMATIONS;

ALANINE; AMIDE; DIPEPTIDE; HYDROGEN; PROLINE DERIVATIVE; WATER; MOLECULAR PROBE; N-ACETYLALANYL-N-METHYLAMIDE;

AQUEOUS SOLUTION; ARTICLE; CIRCULAR DICHROISM; CONFORMATION; DENSITY FUNCTIONAL THEORY; HYDROGEN BOND; INFRARED SPECTROSCOPY; MOLECULE; VIBRATIONAL CIRCULAR DICHROISM; ALGORITHM; ANALOGS AND DERIVATIVES; CHEMISTRY; METABOLISM; MOLECULAR DYNAMICS; MOLECULAR PROBE; PROCEDURES; PROTEIN CONFORMATION; THERMODYNAMICS; VIBRATION;

ALANINE; ALGORITHMS; AMIDES; CIRCULAR DICHROISM; DIPEPTIDES; MOLECULAR DYNAMICS SIMULATION; MOLECULAR PROBES; PROTEIN CONFORMATION; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; THERMODYNAMICS; VIBRATION; WATER;

EID: 84898946327     PISSN: 00063525     EISSN: 10970282     Source Type: Journal    
DOI: 10.1002/bip.22460     Document Type: Article

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