Authors
Kathryn A Porter, Israel Desta, Dima Kozakov, Sandor Vajda
Published in
Current opinion in structural biology. Volume 55. Pages 1-7. Epub Feb 01, 2019.
Abstract
A number of well-established servers perform 'free' docking of proteins of known structures. In contrast, template-based docking can start from sequences if structures are available for complexes that are homologous to the target. On the basis of the results of the CAPRI-CASP structure prediction experiments, template-based methods yield more accurate predictions if good templates can be found, but generally fail without such templates. However, free global docking, or focused docking around even poor quality template-based models, can still generate acceptable docked structures in these cases. In accordance with the analysis of a benchmark set, free docking of heterodimers yields acceptable or better predictions in the top 10 models for around 40% of structures. However, it is likely that a combination of template-based and free docking methods can perform better for targets that have template structures available. Another way of improving the reliability of predictions is adding experimental information as restraints, an option built into several docking servers.
PMID:
30711743
Bibliographic data and abstract were imported from PubMed on 11 Nov 2025.
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