Validation-driven protein-structure improvement

Contains fulltext : 160844.pdf (publisher's version ) (Open Access)High-quality protein structure models are essential for many Life Science applications, such as protein engineering, molecular dynamics, drug design, and homology modelling. The WHAT_CHECK model validation project and the PDB_REDO model optimisation project have shown that many structure models in the Protein Data Bank can be improved by re-interpretation of the original experimental data. This thesis has added several methods to validate and optimise details of structure models including backbone angles, peptide conformations, Zinc binding sites and B-factors.Radboud University, 18 november 2016Promotor : Vriend, G. Co-promotor : Joosten, R.P