Comparison of NMR and MD N-H bond order parameters: Example of HIV-1 protease

Molecular Simulation

Volumn 32, Issue 14, 2006, Pages 1155-1163

  Kanibolotsky, D S ^a   Ivanova, O S ^b   Lisnyak, V V ^b  

^a Academician Peter Bogach Institute   (Ukraine)

^b TARAS SHEVCHENKO NATIONAL UNIVERSITY OF KYIV   (Ukraine)

Author keywords

Effective correlation time; HIV 1 protease; Model free approach; Molecular dynamics simulation; N H bond order parameter

Indexed keywords

AMINO ACIDS; COMPUTER SIMULATION; CONFORMATIONS; CORRELATION METHODS; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; PARAMETER ESTIMATION; SOLUTIONS;

EFFECTIVE CORRELATION TIME; MODEL-FREE APPROACH; N-H BOND ORDER PARAMETERS;

ENZYMES;

EID: 34548416551     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020601078489     Document Type: Article

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