CAVER Analyst 2.0: analysis and visualization of channels and tunnels in protein structures and molecular dynamics trajectories
Abstract
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 efficient analysis and data reduction in large protein structures and molecular dynamics simulations.
A. Jurčík, D. Bednář, J. Byška, S. M. Marques, K. Furmanová, L. Daniel, P. Kokkonen, J. Brezovský, O. Strnad, J. šťourač, A. Pavelka, M. Maňák, J. Damborský, and B. Kozlíková, "CAVER Analyst 2.0: analysis and visualization of channels and tunnels in protein structures and molecular dynamics trajectories," Bioinformatics, 2018.
[BibTeX]
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 efficient analysis and data reduction in large protein structures and molecular dynamics simulations.
@ARTICLE {Jurcik2018Caver,
author = "Adam Jur\v{c}\'{i}k and David Bedn\'{a}\v{r} and Jan By\v{s}ka and Sergio M. Marques and Katar\'{i}na Furmanov\'{a} and Luk\'{a}\v{s} Daniel and Piia Kokkonen and Jan Brezovsk\'{y} and Ond\v{r}ej Strnad and Jan \v{s}\v{t}oura\v{c} and Anton\'{i}n Pavelka and Martin Ma\v{n}\'{a}k and Ji\v{r}\'{i} Damborsk\'{y} and Barbora Kozl\'{i}kov\'{a}",
title = "CAVER Analyst 2.0: analysis and visualization of channels and tunnels in protein structures and molecular dynamics trajectories",
journal = "Bioinformatics",
year = "2018",
abstract = "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 efficient analysis and data reduction in large protein structures and molecular dynamics simulations.",
images = "images/analyst.jpg",
thumbnails = "images/analyst.jpg"
}