Switching conformation of cyclo(histidyl-histidyl) dipeptide: Dynamics and density functional theory study

Molecular Simulation

Volumn 35, Issue 5, 2009, Pages 409-418

  Abiram, A ^a   Kolandaivel, P ^a  

^a BHARATHIAR UNIVERSITY   (India)

Author keywords

Conformations; Cyclic dipeptide; Density functional theory; Histidine; Molecular dynamics

Indexed keywords

AQUEOUS MEDIUM; BOAT CONFORMATIONS; CONFORMATIONAL PREFERENCES; CYCLIC DIPEPTIDE; DI-PEPTIDES; DIKETOPIPERAZINES; DIPEPTIDE; DYNAMIC SIMULATION; ELECTRONIC EFFECTS; FOLDED STRUCTURES; GASPHASE; HISTIDINE; MAXIMUM PROBABILITY; OPTIMISATIONS; RING-PUCKERING; SIDE-CHAIN; SIDE-CHAIN INTERACTIONS; SOLVATION SHELL; TIME-SCALES; U-SHAPED; WATER MOLECULE;

COMPUTER SIMULATION; CONFORMATIONS; DYNAMICS; MOLECULAR DYNAMICS; MOLECULES;

DENSITY FUNCTIONAL THEORY;

EID: 70449562595     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020802595554     Document Type: Article

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