作者
Iain H Moal, Rocco Moretti, David Baker, Juan Fernández-Recio
发表日期
2013/12/1
来源
Current opinion in structural biology
卷号
23
期号
6
页码范围
862-867
出版商
Elsevier Current Trends
简介
Highlights
- Scoring can have implications for medicine, evolution and systems biology.
- Mutual information in functions designed for different task is yet to be exploited.
- Pareto-optimal models can be used to construct general purpose energy functions.
- Multi-task learning provides a framework for integrative scoring function development.
The computational evaluation of protein–protein interactions will play an important role in organising the wealth of data being generated by high-throughput initiatives. Here we discuss future applications, report recent developments and identify areas requiring further investigation. Many functions have been developed to quantify the structural and energetic properties of interacting proteins, finding use in interrelated challenges revolving around the relationship between sequence, structure and binding free energy. These include loop modelling, side-chain refinement, docking, multimer …
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IH Moal, R Moretti, D Baker, J Fernández-Recio - Current opinion in structural biology, 2013