Evaluation of search models for Molecular Replacement using MolRep

• Main Author: Pasalic, Zlatana
• Format: Others
• Language: English
• Published: Högskolan i Skövde, Institutionen för datavetenskap 2002
• Subjects: evaluation; manipulation; molecular replacement; search models; X-ray diffraction; Bioinformatics (Computational Biology); Bioinformatik (beräkningsbiologi)
• Online Access: http://urn.kb.se/resolve?urn=urn:nbn:se:his:diva-709

he aim of this study is to use several homology models of different completeness and accuracy and to evaluate them as search models for Molecular Replacement (MR).Three structural groups are evaluated: α-, β- and α/β- group. From every group one template structure and a couple of search models are selected. The search models are manipulated and evaluated. B-factor manipulation, side chain removal and homology modelling are the ways the search models are manipulated. This work shows that B-factor manipulation do not improve the search models. The work also shows that removing the side chains is not improving the search models. Finally the work shows that homology modelling did not model better search models.