期刊
BIOINFORMATICS
卷 34, 期 20, 页码 3586-3588出版社
OXFORD UNIV PRESS
DOI: 10.1093/bioinformatics/bty386
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类别
资金
- Czech Science Foundation [17-07690S, 16-06096S]
- Ministry of Education [LO1214, LO1506, LQ1605, LM2015047, LM2015055]
- PhysioIllustration research project - Norwegian Research Council [218023]
- National Science Centre, Poland [2017/25/B/NZ1/01307]
- Ministry of Education, Youth and Sports of the Czech Republic [LM2015042, LM2015085]
Motivation: Studying the transport paths of ligands, solvents, or ions in transmembrane proteins and proteins with buried binding sites is fundamental to the understanding of their biological function. A detailed analysis of the structural features influencing the transport paths is also important for engineering proteins for biomedical and biotechnological applications. Results: CAVER Analyst 2.0 is a software tool for quantitative analysis and real-time visualization of tunnels and channels in static and dynamic structures. This version provides the users with many new functions, including advanced techniques for intuitive visual inspection of the spatiotemporal behavior of tunnels and channels. Novel integrated algorithms allow an efficient analysis and data reduction in large protein structures and molecular dynamic simulations.
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