7/25/2023 0 Comments Glycerol backbone definition![]() Phospholipids containing various polar headgroups and acyl chainsĪre essential building blocks of biological membranes. Molecular dynamics simulation trajectories of lipid bilayers. Repository holding our simulation trajectories and files ( ) has become the most extensive publicly available collection of This work has beenĭone as a fully open collaboration, using as a communication platform all the scientific contributions were More parallel to the membrane, and (2) cholesterol induces only minorĬhanges to the PC (glycerol backbone) structure. Of choline order parameters indicates the P–N vector tilting Them we were able to distill relevant chemical information: (1) increase The existing models reached experimental accuracy, by critically comparing Previous experimental data for dehydrated bilayers and cholesterol-containingīilayers, and interpreted them with simulations. In addition to lipid bilayers in fully hydrated conditions, we reviewed Representation of biomolecules in biologically relevant conditions. Tool that translates these NMR data into a dynamic three-dimensional Turn, allow molecular dynamics simulations to be used as an interpretation Resolution structural accuracy of the models. That the order parameter comparison can be used to judge the atomistic The highly structurally sensitive C–H bond vector order parameters.įocusing on the glycerol backbone and choline headgroups, we showed Models, and compared simulations with NMR experiments in terms of Phosphatidylcholine (PC) lipid bilayers with 13 different atomistic Of the experimental data, but only if the simulations reproduce theĭata within experimental accuracy. The structures, and to give an arrestingly intuitive interpretation Resolution molecular dynamics simulations have the potential to resolve Headgroup in phoshatidylcholine bilayers are not known. Resolution structures sampled by the glycerol backbone and choline Are essential building blocks of biological membranes.ĭespite a vast amount of very accurate experimental data, the atomistic
0 Comments
Leave a Reply. |