Optimizing Lipid Force Field Parameters
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Corresponding Organization :
Other organizations : National Heart Lung and Blood Institute, University of Maryland, Baltimore, University of Maryland, College Park, National Institutes of Health, University of California, Irvine
Protocol cited in 290 other protocols
Variable analysis
- Modifications to the partial charges for certain atoms in the head group of the lipid molecules
- Optimization procedure used to produce optimized non-bond parameters for the ester moieties in the glycerol linker region
- Highly accurate torsional profiles for certain head group and alkene dihedrals
- Justification for the modifications to the partial charges for certain atoms in the head group of the lipid molecules
- Optimized non-bond parameters for the ester moieties in the glycerol linker region
- Highly accurate torsional profiles for certain head group and alkene dihedrals
- The C36 additive all-atom lipid force field
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