Modeling the thermal unfolding 2DIR spectra of a β-hairpin peptide based on the implicit solvent MD simulation

Journal of Physical Chemistry A

Volumn 117, Issue 29, 2013, Pages 6256-6263

  Wu, Tianmin ^a   Yang, Lijiang ^c   Zhang, Ruiting ^b   Shao, Qiang ^d   Zhuang, Wei ^b  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^b DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

^c PEKING UNIVERSITY   (China)

^d SHANGHAI INSTITUTE OF MATERIA MEDICA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONAL CHANGE; COST-EFFECTIVE MEANS; EXPLICIT SOLVENTS; IMPLICIT SOLVENT MODEL; IMPLICIT SOLVENTS; SIMULATED SIGNALS; TEMPERATURE DEPENDENCE; THERMAL UNFOLDING TRANSITIONS;

COMPUTER SIMULATION; ISOTOPES; PEPTIDES; SOLVENTS;

FOURIER TRANSFORM INFRARED SPECTROSCOPY;

EID: 84880818458     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp400625a     Document Type: Article

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