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Complex structures between the N-type calcium channel (CaV2.2) and I-Conotoxin GVIA predicted via molecular dynamics

Date

Authors

Chung, Shin-Ho

Chen, Rong

Publisher

Academic Press

Abstract

The N-type voltage-gated Ca2+ channel CaV2.2 is one of the important targets for pain management. ω-Conotoxins isolated from venoms of cone snails, which specifically inhibit CaV2.2, are promising scaffolds for novel analgesics. The inhibitory action of

Keywords

Keywords: Aspartate residue; Complex structure; Inhibitory concentration; Ion-conduction pathways; Molecular dynamics simulations; Potential of mean force; Selectivity filter; Umbrella sampling; Binding energy; Molecular dynamics; Plants (botany); Scaffolds; Toxic

URI

http://hdl.handle.net/1885/72823

Collections

ANU Research Publications

Source

Analytical Biochemistry

Type

Journal article

DOI

10.1021/bi4003327

Restricted until

2037-12-31

Downloads

File

Description

01_Chung_Complex_structures_between_the_2013.pdf (1.95 MB)

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