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Influence of the environment in the conformation of alpha-helices studied by protein database search and molecular dynamics simulations.
Mireia Olivella et al.
Biophysical journal. 82 (6), 3207-13 (Jun 2002)
info:pmid/12023245
Posted by xdeupi to MD helix on Thu Sep 07 2006 at 13:00 UTC | info | related
 
Molecular simulations and lipid-protein interactions: potassium channels and other membrane proteins.
Biochemical Society Transactions 33 (5), 916 (2005)
info:doi/10.1042/bst20050916
Posted by xdeupi to membrane MD GPCR on Thu Sep 07 2006 at 12:56 UTC | info | related
 
Molecular dynamics simulations of bovine rhodopsin: influence of protonation states and different membrane-mimicking environments.
Birgit Schlegel, Wolfgang Sippl, and Hans-Dieter Höltje
Journal of molecular modeling (Online) 12 (1), 49-64 (Dec 2005)
info:pmid/16247601 | info:doi/10.1007/s00894-005-0004-z
Posted by xdeupi and 1 other to Rhodopsin membrane MD on Thu Sep 07 2006 at 12:56 UTC | info | related
 
Molecular dynamics simulation of a phosphatidylglycerol membrane.
FEBS Letters 580 (1), 144 (2006)
info:doi/10.1016/j.febslet.2005.11.064
Posted by xdeupi to MD Lipids on Thu Sep 07 2006 at 12:56 UTC | info | related
 
The Amber biomolecular simulation programs.
Journal of Computational Chemistry 26 (16), 1668-88 (2005)
info:doi/10.1002/jcc.20290
Posted by xdeupi and 2 others to MD amber on Thu Sep 07 2006 at 12:56 UTC | info | related
 
A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations.
Journal of Computational Chemistry 24 (16), 1999-2012 (2003)
info:doi/10.1002/jcc.10349
Posted by xdeupi and 1 other to modeling MD dynamics amber on Thu Sep 07 2006 at 12:56 UTC | info | related
 
Automatic atom type and bond type perception in molecular mechanical calculations.
Journal of Molecular Graphics and Modelling, (2006)
info:doi/10.1016/j.jmgm.2005.12.005
Posted by xdeupi to modeling MD dynamics amber on Thu Sep 07 2006 at 12:53 UTC | info | related
 
Conformational dynamics of M2 helices in KirBac channels: helix flexibility in relation to gating via molecular dynamics simulations.
Biochemistry 44 (44), 14586 (2005)
info:doi/10.1021/bi0510429
Posted by xdeupi to transmembrane modeling membrane MD dynamics Channel activation on Thu Sep 07 2006 at 12:53 UTC | info | related
 
The role of extra-membranous inter-helical loops in helix-helix interactions.
Martin B Ulmschneider, D Peter Tieleman, and Mark S P Sansom
Protein engineering, design & selection : PEDS. 18 (12), 563-70 (Dec 2005)
info:pmid/16251222 | info:doi/10.1093/protein/gzi059
Posted by xdeupi to transmembrane membrane MD loops helix dynamics on Thu Sep 07 2006 at 12:53 UTC | info | related
 
Asymmetric stability among the transmembrane helices of lactose permease.
Biochemistry 45 (26), 8088 (2006)
info:doi/10.1021/bi060355g
Posted by xdeupi to transmembrane structure modeling MD helix dynamics activation on Thu Sep 07 2006 at 12:50 UTC | info | related

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