Computational methods of studying the binding of toxins from venomous animals to biological ion channels: theory and applications

Gordon, DanielChen, RongChung, Shin-Ho2015-12-070031-9333http://hdl.handle.net/1885/17135The discovery of new drugs that selectively block or modulate ion channels has great potential to provide new treatments for a host of conditions. One promising avenue revolves around modifying or mimicking certain naturally occurring ion channel modulatoKeywords: ion channel; potassium channel; sodium channel; article; chemical structure; computer analysis; dissociation constant; energy transfer; force; geometry; heart atrium fibrillation; long QT syndrome; molecular docking; molecular dynamics; molecular mechanicComputational methods of studying the binding of toxins from venomous animals to biological ion channels: theory and applications201310.1152/physrev.00035.20122016-02-24