Development and application of enhanced sampling techniques to simulate the long-time scale dynamics of biomolecular systems

International Journal of Quantum Chemistry

Volumn 112, Issue 1, 2012, Pages 33-43

  Spiriti, Justin ^a   Kamberaj, Hiqmet ^b   Van Der Vaart, Arjan ^c  

^a ARIZONA STATE UNIVERSITY   (United States)

^b International Balkan University   (Macedonia)

^c UNIVERSITY OF SOUTH FLORIDA   (United States)

Author keywords

conformational change; DNA; enhanced sampling; free energy; molecular dynamics

Indexed keywords

ATOMIC RESOLUTION; BIOMOLECULAR SYSTEM; COLLAGENASE; CONFORMATIONAL CHANGE; CONFORMATIONAL STATE; ENHANCED SAMPLING; PEPTIDE BONDS; SAMPLING TECHNIQUE;

COMPUTER SIMULATION; DNA; MOLECULAR DYNAMICS;

DYNAMICS;

EID: 80855148257     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.23139     Document Type: Conference Paper

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