Investigation of polarization effects in the gramicidin A channel from ab initio molecular dynamics simulations

Journal of Chemical Physics

Volumn 137, Issue 20, 2012, Pages

  Timko, Jeff ^a   Kuyucak, Serdar ^a  

^a UNIVERSITY OF SYDNEY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO MOLECULAR DYNAMICS SIMULATION; BACKBONE CARBONYL; CARBONYL GROUPS; FORCE FIELDS; GRAMICIDIN A; H-BOND NETWORK; H-BONDS; ION CHANNEL; MD SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; POLARIZATION EFFECT; WATER MOLECULE;

DIPOLE MOMENT; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULAR MODELING; MOLECULES; NONCRYSTALLINE SOLIDS; POLARIZATION;

IONS;

GRAMICIDIN; WATER;

ARTICLE; CHEMISTRY; HYDROGEN BOND; MOLECULAR DYNAMICS; PROTEIN CARBONYLATION;

GRAMICIDIN; HYDROGEN BONDING; MOLECULAR DYNAMICS SIMULATION; PROTEIN CARBONYLATION; WATER;

EID: 84870502846     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4768247     Document Type: Article

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