Informace o publikaci

CAVER Analyst 2.0: Analysis and Visualization of Channels and Tunnels in Protein Structures and Molecular Dynamics Trajectories

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JURČÍK Adam BEDNÁŘ David BYŠKA Jan MARQUES Sérgio Manuel FURMANOVÁ Katarína DANIEL Lukáš KOKKONEN Piia Pauliina BREZOVSKÝ Jan STRNAD Ondřej ŠTOURAČ Jan PAVELKA Antonín MANAK Martin DAMBORSKÝ Jiří KOZLÍKOVÁ Barbora

Rok publikování 2018
Druh Článek v odborném periodiku
Časopis / Zdroj Bioinformatics
Fakulta / Pracoviště MU

Fakulta informatiky

Citace
Doi http://dx.doi.org/10.1093/bioinformatics/bty386
Klíčová slova protein;tunnel;software;visualization
Popis 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. Availability and implementation: CAVER Analyst 2.0 is a multi-platform standalone Java-based application. Binaries and documentation are freely available at www.caver.cz.
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