Lecture 5 Modeling RNA three-dimensional structure Models vs structures - but even Xray & NMR structures are models Resolution - helix vs residue vs atomic 3D structure implicit in secondary structures i.e. secondary is not 2 dimensional! helices - A form RNA motifs - e.g. tetraloops 3D vs 4D RNAs are dynamic compare RNA machines with a machine - car engine Global vs regional models Data - constraints needed! Secondary structure phylogenetic genetic SELEX variation data pseudoknots - very constraining structure probing X-linking base mods physical data Interactive computer graphics - manual - Westhof/Massire ~ wire model building extension of the comparative approach examples strengths weaknesses can you use it? The most productive method to date MC-SYM search for all geometrically possible solutions via brute force the algorithm the data results strengths weaknesses when to use it Molecular mechanics - e.g.YAMMP principle the algorithm the data results strengths weaknesses when to use it Discrete vs probablistic modeling Evaluation of models