Molecular dynamics simulations of calcium binding in gramicidin A

Turgut Baştuğ; Serdar Kuyucak

doi:10.1016/j.cplett.2006.04.024

Molecular dynamics simulations of calcium binding in gramicidin A

Chemical Physics Letters ◽

10.1016/j.cplett.2006.04.024 ◽

2006 ◽

Vol 424 (1-3) ◽

pp. 82-85 ◽

Cited By ~ 8

Author(s):

Turgut Baştuğ ◽

Serdar Kuyucak

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Calcium Binding ◽

Gramicidin A ◽

Dynamics Simulations

Download Full-text

Molecular dynamics simulations of the gramicidin A-dimyristoylphosphatidylcholine system with an ion in the channel pore region

European Biophysics Journal ◽

10.1007/s002490000106 ◽

2000 ◽

Vol 29 (7) ◽

pp. 523-534 ◽

Cited By ~ 9

Author(s):

Yu Zhou Tang ◽

Wei Zu Chen ◽

Cun Xin Wang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Gramicidin A ◽

Pore Region ◽

Channel Pore ◽

Dynamics Simulations

Download Full-text

Molecular dynamics simulations of gramicidin A in a lipid bilayer: From structure–function relations to force fields

Chemistry and Physics of Lipids ◽

10.1016/j.chemphyslip.2006.02.012 ◽

2006 ◽

Vol 141 (1-2) ◽

pp. 197-204 ◽

Cited By ~ 14

Author(s):

Turgut BaştuĞ ◽

Swarna M. Patra ◽

Serdar Kuyucak

Keyword(s):

Molecular Dynamics ◽

Structure Function ◽

Molecular Dynamics Simulations ◽

Lipid Bilayer ◽

Force Fields ◽

Gramicidin A ◽

Dynamics Simulations

Download Full-text

Structure of Gramicidin A in a Lipid Bilayer Environment Determined Using Molecular Dynamics Simulations and Solid-State NMR Data

Journal of the American Chemical Society ◽

10.1021/ja029317k ◽

2003 ◽

Vol 125 (32) ◽

pp. 9868-9877 ◽

Cited By ~ 96

Author(s):

Toby W. Allen ◽

Olaf S. Andersen ◽

Benoit Roux

Keyword(s):

Molecular Dynamics ◽

Solid State ◽

Molecular Dynamics Simulations ◽

Lipid Bilayer ◽

Solid State Nmr ◽

Gramicidin A ◽

Nmr Data ◽

Dynamics Simulations

Download Full-text

2P113 Simulated Annealing Molecular Dynamics Simulations of Gramicidin A in the Low-Dielectric Environment(Proteins-stability, folding, and other physicochemical properties,Poster Presentations)

Seibutsu Butsuri ◽

10.2142/biophys.47.s141_2 ◽

2007 ◽

Vol 47 (supplement) ◽

pp. S141

Author(s):

Takaharu Mori ◽

Yuko Okamoto

Keyword(s):

Molecular Dynamics ◽

Simulated Annealing ◽

Physicochemical Properties ◽

Molecular Dynamics Simulations ◽

Gramicidin A ◽

Low Dielectric ◽

Dynamics Simulations ◽

Poster Presentations ◽

Dielectric Environment

Download Full-text

Gramicidin A Backbone and Side Chain Dynamics Evaluated by Molecular Dynamics Simulations and Nuclear Magnetic Resonance Experiments. II: Nuclear Magnetic Resonance Experiments

The Journal of Physical Chemistry B ◽

10.1021/jp200906y ◽

2011 ◽

Vol 115 (22) ◽

pp. 7427-7432 ◽

Cited By ~ 2

Author(s):

Vitaly V. Vostrikov ◽

Hong Gu ◽

Helgi I. Ingólfsson ◽

James F. Hinton ◽

Olaf S. Andersen ◽

...

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Molecular Dynamics Simulations ◽

Gramicidin A ◽

Side Chain ◽

Chain Dynamics ◽

Dynamics Simulations ◽

Side Chain Dynamics ◽

Nuclear Magnetic

Download Full-text

Investigation of polarization effects in the gramicidin A channel from ab initio molecular dynamics simulations

The Journal of Chemical Physics ◽

10.1063/1.4768247 ◽

2012 ◽

Vol 137 (20) ◽

pp. 205106 ◽

Cited By ~ 6

Author(s):

Jeff Timko ◽

Serdar Kuyucak

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Gramicidin A ◽

Ab Initio Molecular Dynamics ◽

Polarization Effects ◽

Dynamics Simulations

Download Full-text

Molecular Dynamics Simulations of Calcium Binding Sites in the RCK Domain of the Mthk Gating Ring

Biophysical Journal ◽

10.1016/j.bpj.2014.11.2378 ◽

2015 ◽

Vol 108 (2) ◽

pp. 435a

Author(s):

Tangzhen Zhao ◽

Yukun Wang ◽

Qin Xu ◽

Dongqing Wei

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Binding Sites ◽

Calcium Binding ◽

Rck Domain ◽

Calcium Binding Sites ◽

Dynamics Simulations

Download Full-text

Gramicidin A Backbone and Side Chain Dynamics Evaluated by Molecular Dynamics Simulations and Nuclear Magnetic Resonance Experiments. I: Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/jp200904d ◽

2011 ◽

Vol 115 (22) ◽

pp. 7417-7426 ◽

Cited By ~ 25

Author(s):

Helgi I. Ingólfsson ◽

Yuhui Li ◽

Vitaly V. Vostrikov ◽

Hong Gu ◽

James F. Hinton ◽

...

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Molecular Dynamics Simulations ◽

Gramicidin A ◽

Side Chain ◽

Chain Dynamics ◽

Dynamics Simulations ◽

Side Chain Dynamics ◽

Nuclear Magnetic

Download Full-text

Molecular dynamics simulations of Trp side-chain conformational flexibility in the gramicidin A channel

Biopolymers ◽

10.1002/bip.10546 ◽

2003 ◽

Vol 71 (5) ◽

pp. 593-600 ◽

Cited By ~ 11

Author(s):

Nathan C. Bingham ◽

Natasha E. C. Smith ◽

Timothy A. Cross ◽

David D. Busath

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Conformational Flexibility ◽

Gramicidin A ◽

Side Chain ◽

Dynamics Simulations

Download Full-text

Understanding the Structural Changes of the Calcium Binding S100A1 Protein with Molecular Dynamics Simulations

Biophysical Journal ◽

10.1016/j.bpj.2014.11.1184 ◽

2015 ◽

Vol 108 (2) ◽

pp. 214a

Author(s):

Caitlin E. Scott ◽

Peter M. Kekenes-Huskey

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Calcium Binding ◽

Structural Changes ◽

Dynamics Simulations

Download Full-text