MODELLER - Computational Biology Service Unit (CBSU)

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<strong>MODELLER</strong> flowchart sequence Identify related structures (templates) Select templates Calculate alignment Build model Evaluate model structure
Template selection • High sequence similarity • Select a template from a subfamily phylogenetically closest to query sequence • Environment of target structure should be as similar as possible to the query. It may be solvent, ligand, pH, quarternary interactions. • The quality of template structure should be as high as possible as described by resolution for X-ray, and number of constraints (NOE) for NMR.
Page 1 and 2: Comparative Modeling Part 1 Jarosla
Page 3 and 4: Exchange of even a few residues can
Page 5 and 6: Comparative Modeling is an algorith
Page 7 and 8: 1EA5 Acetylcholinesterase Typical t
Page 9 and 10: In general model should be a little
Page 11 and 12: Modeling a putative interaction of
Page 13 and 14: MODELLER is a very popular comparat
Page 15 and 16: How does the MODELLER work? Optimiz
Page 17: Model accuracy depends on sequence
Page 23 and 24: Model evaluation. • Evaluating mo
Page 25: Problems and limitations. • Error

MODELLER - Computational Biology Service Unit (CBSU)

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