Charge group partitioning in biomolecular simulation

Journal of Computational Biology

Volumn 20, Issue 3, 2013, Pages 188-198

  Canzar, Stefan ^e   El Kebir, Mohammed ^a,b   Pool, Reńe ^b   Elbassioni, Khaled ^c   Mark, Alan E ^d   Geerke, Daan P ^b   Stougie, Leen ^a,b   Klau, Gunnar W ^a  

^a CWI   (Netherlands)

^b VU UNIVERSITY AMSTERDAM   (Netherlands)

^c KHALIFA UNIVERSITY   (United Arab Emirates)

^d UNIVERSITY OF QUEENSLAND   (Australia)

^e JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE   (United States)

Author keywords

atomic force fields; biomolecular simulation; charge groups; dynamic programming; grooms; tree decomposition

Indexed keywords

ADENOSINE TRIPHOSPHATE; AMINO ACID; WATER;

ARTICLE; CHEMISTRY; ELECTRON; MOLECULAR DYNAMICS; PH; THERMODYNAMICS;

ADENOSINE TRIPHOSPHATE; AMINO ACIDS; ELECTRONS; HYDROGEN-ION CONCENTRATION; MOLECULAR DYNAMICS SIMULATION; THERMODYNAMICS; WATER;

EID: 84874705707     PISSN: 10665277     EISSN: None     Source Type: Journal    
DOI: 10.1089/cmb.2012.0239     Document Type: Article

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