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Literature DB >> 15296727

Computational studies of membrane channels.

Abstract

The determination of the structure of several members of the K+ channel and aquaporin family represents a unique opportunity to explain the mechanism of these biomolecular systems. With their ability to go beyond static structures, molecular dynamics simulations offer a unique route for relating functional properties to membrane channel structure. The recent progress in this area is reviewed.

Mesh：

Substances：
Aquaporins
Ion Channels

Year: 2004 PMID： 15296727 DOI： 10.1016/j.str.2004.06.013

Source DB: PubMed Journal: Structure ISSN： 0969-2126 Impact factor: 5.006

Keyword Cloud
Cited

51 in total

1. Interfacial tryptophan residues: a role for the cation-pi effect?

Authors: Frederic N R Petersen; Morten Ø Jensen; Claus H Nielsen
Journal: Biophys J Date: 2005-09-08 Impact factor: 4.033

2. Scalable molecular dynamics with NAMD.

Authors: James C Phillips; Rosemary Braun; Wei Wang; James Gumbart; Emad Tajkhorshid; Elizabeth Villa; Christophe Chipot; Robert D Skeel; Laxmikant Kalé; Klaus Schulten
Journal: J Comput Chem Date: 2005-12 Impact factor: 3.376

3. A computational protocol for the integration of the monotopic protein prostaglandin H2 synthase into a phospholipid bilayer.

Authors: Philip W Fowler; Peter V Coveney
Journal: Biophys J Date: 2006-04-21 Impact factor: 4.033

Computational studies of membrane channels.

1. Interfacial tryptophan residues: a role for the cation-pi effect?

2. Scalable molecular dynamics with NAMD.

3. A computational protocol for the integration of the monotopic protein prostaglandin H2 synthase into a phospholipid bilayer.

4. Ion conduction through MscS as determined by electrophysiology and simulation.

5. Molecular dynamics simulations suggest a mechanism for translocation of the HIV-1 TAT peptide across lipid membranes.

6. Invariance of single-file water mobility in gramicidin-like peptidic pores as function of pore length.

7. The free energy landscapes governing conformational changes in a glutamate receptor ligand-binding domain.

8. Electrostatic properties of the mechanosensitive channel of small conductance MscS.

9. Molecular dynamics study of gating in the mechanosensitive channel of small conductance MscS.

10. Cooperative nature of gating transitions in K(+) channels as seen from dynamic importance sampling calculations.