🆕 Conformational Search with Experimental Restraints
This video shows how to perform a conformational search on a small cyclic peptide using LowModeMD. Restraints, such as might be suggested by experimental data like NMR, will be added to guide the conformational search.
[link]video.chemcomp[d]com/watch/TDFn417FhhpFBt75a1LnKr?second=17&autoplay=1[label]0:17 Adding pairwise atom distance restraints [link end]
[link]video.chemcomp[d]com/watch/TDFn417FhhpFBt75a1LnKr?second=143&autoplay=1[label]2:23 LowModeMD conformational search[link end]
[link]video.chemcomp[d]com/watch/TDFn417FhhpFBt75a1LnKr?second=283&autoplay=1[label]4:33 Measuring restrained distances using the Conformation Geometry panel [link end]
[link]video.chemcomp[d]com/watch/TDFn417FhhpFBt75a1LnKr?second=382&autoplay=1[label]6:22 Identifying interesting conformations with Database Filters [link end]
