Tools for channels: Moving towards molecular calculations of gating and permeation in ion channel biophysics

Journal of Molecular Graphics and Modelling

Volumn 22, Issue 5, 2004, Pages 359-368

  Woolf, Thomas B ^a   Zuckerman, Daniel M ^b   Lu, Nandou ^a   Jang, Hyunbum ^a  

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

^b UNIVERSITY OF PITTSBURGH   (United States)

Author keywords

Importance sampling; Ion channels; Kinetics; Molecular dynamics; Non equilibrium free energy; Overlap sampling; Permeation; Relative free energy

Indexed keywords

COMPUTATIONAL METHODS; ELECTRIC POTENTIAL; FREE ENERGY; FUNCTIONS; IONS; MOLECULAR STRUCTURE; POTASSIUM; SAMPLING; X RAY ANALYSIS;

BIOLOGICAL FUNCTIONS; BIOPHYSICS; ION CHANNELS; OVERLAP SAMPLING (OS);

MOLECULAR GRAPHICS;

VOLTAGE GATED POTASSIUM CHANNEL;

BIOPHYSICS; CHANNEL GATING; CHEMICAL STRUCTURE; CONFERENCE PAPER; CONFORMATIONAL TRANSITION; ENERGY; ION CURRENT; MATHEMATICAL COMPUTING; PERMEABILITY; PRIORITY JOURNAL; SAMPLING; X RAY;

EID: 1942504108     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2003.12.003     Document Type: Conference Paper

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