Quantum and all-atom molecular dynamics simulations of protonation and divalent ion binding to phosphatidylinositol 4,5-bisphosphate (PIP2)

Journal of Physical Chemistry B

Volumn 117, Issue 28, 2013, Pages 8322-8329

  Slochower, David R ^a   Huwe, Peter J ^a   Radhakrishnan, Ravi ^a,b   Janmey, Paul A ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

^b UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CELL MEMBRANES; MAGNESIUM; MOLECULAR DYNAMICS; MOLECULAR MODELING; PHASE SEPARATION; PHOSPHOLIPIDS; PROTONATION;

GEOMETRY OPTIMIZATION; MOLECULAR DYNAMICS CALCULATION; MOLECULAR DYNAMICS SIMULATIONS; PARTIAL CHARGE DISTRIBUTION; PHOSPHATIDYLINOSITOL 4 ,5-BISPHOSPHATE; PRESENCE OF WATER; PROTONATION STATE; QUANTUM MECHANICS/MOLECULAR MECHANICS;

CALCIUM;

EID: 84880546495     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp401414y     Document Type: Article

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