Solvent polarity-induced conformational unlocking of asparagine

Journal of Physical Chemistry A

Volumn 116, Issue 47, 2012, Pages 11702-11708

  Selvaraj, Ananda Rama Krishnan ^a   Murugan, N Arul ^a   Ågren, Hans ^a  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

CAGE EFFECT; CAR-PARRINELLO MOLECULAR DYNAMICS SIMULATIONS; CARBONYL GROUPS; CHLOROFORM SOLVENTS; CONFORMATIONAL DISTRIBUTION; CONFORMATIONAL POPULATION; DIPOLE DIPOLE INTERACTIONS; FOURIER TRANSFORM MICROWAVE SPECTROSCOPY; GASPHASE; INTERMOLECULAR HYDROGEN BONDING; INTRAMOLECULAR HYDROGEN BONDING; NON-POLAR; SECOND ORDER PERTURBATION THEORY; SIDE-CHAINS; SOLVENT EFFECTS; SOLVENT POLARITY; TERMINAL GROUPS; WATER SOLVENTS;

GASES; HYDROGEN BONDS; MICROWAVE SPECTROSCOPY; MOLECULAR DYNAMICS; ORGANIC SOLVENTS; RAMAN SPECTROSCOPY; SOLUTIONS; SOLVENTS;

AMINO ACIDS;

ASPARAGINE; SOLVENT;

ARTICLE; CHEMISTRY; CONFORMATION; ISOMERISM; MOLECULAR DYNAMICS; THERMODYNAMICS;

ASPARAGINE; ISOMERISM; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; SOLVENTS; THERMODYNAMICS;

EID: 84870399484     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp307715n     Document Type: Article

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