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Lipid models for united-atom molecular dynamics simulations of proteins
A. Kukol
School of Life and Medical Sciences
Biosciences Research Group
Centre for Research in Mechanisms of Disease and Drug Discovery
Department of Clinical, Pharmaceutical and Biological Science
Centre for Future Societies Research
Research output
:
Contribution to journal
›
Article
›
peer-review
196
Citations (Scopus)
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Keyphrases
Molecular Dynamics Simulation
100%
1,3-Dioleoyl-2-palmitoylglycerol
100%
Lipid Model
100%
United Atom
100%
Palmitoyl-CoA
40%
Area per Lipid
40%
Protein Force Fields
40%
Phosphatidylglycerol
40%
Self-diffusion Coefficient
20%
Surface Pressure
20%
Membrane Simulations
20%
Deuterium
20%
Lipid Bilayer
20%
Lipid Membrane
20%
Force Field
20%
United Atom Force Field
20%
Acyl Chain
20%
Order Parameter
20%
Self-diffusion Constant
20%
United Atom Model
20%
Membrane Protein
20%
High Computational Efficiency
20%
All-atom Force Field
20%
Lipids
20%
Chemistry
Molecular dynamics simulation
100%
Phosphocholine
75%
1-Oleoyl-2-Palmitoyl-Sn-Glycero-3-Phosphocholine
50%
1-Palmitoyl-2-Oleoyl-Sn-Glycero-3-Phosphoglycerol
50%
Surface Area
25%
Self-Diffusion
25%
Membrane Lipid
25%
Order Parameter
25%
Self-Diffusion Coefficient
25%