CAVER Analyst 2.0: analysis and visualization of channels and tunnels in protein structures and molecular dynamics trajectories

Author:

Jurcik Adam1ORCID,Bednar David23,Byska Jan4,Marques Sergio M23,Furmanova Katarina1,Daniel Lukas23,Kokkonen Piia23,Brezovsky Jan256ORCID,Strnad Ondrej1,Stourac Jan123,Pavelka Antonin12,Manak Martin7,Damborsky Jiri23,Kozlikova Barbora1

Affiliation:

1. Department of Computer Graphics and Design, Human Computer Interaction Laboratory, Faculty of Informatics, Masaryk University, Brno, Czech Republic

2. Loschmidt Laboratories, Department of Experimental Biology and Research Centre for Toxic Compounds in the Environment, Faculty of Science, Masaryk University, Brno, Czech Republic

3. International Centre for Clinical Research, St. Anne’s University Hospital, Brno, Czech Republic

4. Visualization Group, Department of Informatics, University of Bergen, Bergen, Norway

5. Department of Gene Expression, Institute of Molecular Biology and Biotechnology Faculty of Biology, Adam Mickiewicz University, Poznan, Poland

6. International Institute of Molecular and Cell Biology in Warsaw, Warsaw, Poland

7. NTIS – New Technologies for the Information Society, Faculty of Applied Sciences, University of West Bohemia, Pilsen, Czech Republic

Funder

Czech Science Foundation

Ministry of Education

PhysioIllustration research

National Science Centre, Poland

Czech Republic

CERIT-Scientific Cloud

Publisher

Oxford University Press (OUP)

Subject

Computational Mathematics,Computational Theory and Mathematics,Computer Science Applications,Molecular Biology,Biochemistry,Statistics and Probability

Reference12 articles.

1. Engineering a de Novo Transport Tunnel;Brezovsky;ACS Catalysis,2016

2. MoleCollar and Tunnel Heat Map Visualization for Conveying Spatio-Temporo-Chemical Properties Across and Along Protein Voids;Byska;Computer Graphics Forum,2015

3. AnimoAminoMiner: exploration of Protein Tunnels and their Properties in Molecular Dynamics;Byska;IEEE Transactions on Visualization and Computer Graphics,2016

4. A Smoothed Backbone-Dependent Rotamer Library for Proteins Derived from Adaptive Kernel Density Estimates and Regressions;Dunbrack;Structure,2011

5. Gates of Enzymes;Gora;Chemical Reviews,2013

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