Recent advances in polarizable force fields for macromolecules: Microsecond simulations of proteins using the classical drude oscillator model

Journal of Physical Chemistry Letters

Volumn 5, Issue 18, 2014, Pages 3144-3150

  Huang, Jing ^a   Lopes, Pedro E M ^a   Roux, Benoît ^b   MacKerell, Alexander D ^a  

^a UNIVERSITY OF MARYLAND SCHOOL OF PHARMACY   (United States)

^b UNIVERSITY OF CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIPOLE MOMENT; MOLECULAR DYNAMICS; OSCILLATORS (MECHANICAL); POLARIZATION;

ELECTRONIC POLARIZATION; ELECTRONIC-POLARIZABILITY; EXPLICIT TREATMENTS; HYDROPHOBIC REGIONS; MOLECULAR DYNAMICS SIMULATIONS; POLARIZABLE FORCE FIELD; STRUCTURE AND DYNAMICS; SYSTEMATIC CHANGES;

PROTEINS;

EID: 84990175702     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz501315h     Document Type: Review

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