Conformations and interactions of ACE inhibitor tripeptide in aqueous and DMSO solution by all-atom MD simulations and 2D-NMR spectra

Journal of Molecular Liquids

Volumn 206, Issue , 2015, Pages 75-81

  Huang, Guodong ^a   Zhang, Rong ^a   Zeng, Wei ^a   Chen, Lin ^a   Wu, Wenjuan ^a  

^a GUANGDONG PHARMACEUTICAL UNIVERSITY   (China)

Author keywords

All atom molecular dynamic simulation; Different solutions; IEY 2D NOESY

Indexed keywords

ATOMS; HYDROGEN BONDS; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SOLUTIONS;

2D NMR SPECTRA; FOLDED CONFORMATION; IEY 2D-NOESY; INTRAMOLECULAR DISTANCES; NUCLEAR OVERHAUSER EFFECT SPECTROSCOPY; RADIUS OF GYRATION; ROOT MEAN SQUARE DEVIATIONS; SOLVENT ACCESSIBLE SURFACE AREAS;

CONFORMATIONS;

EID: 84923082320     PISSN: 01677322     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molliq.2015.02.003     Document Type: Article

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