J 2018

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

JURČÍK, Adam, David BEDNÁŘ, Jan BYŠKA, Sérgio Manuel MARQUES, Katarína FURMANOVÁ et. al.

Basic information

Original name

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

Authors

JURČÍK, Adam (203 Czech Republic, belonging to the institution), David BEDNÁŘ (203 Czech Republic, belonging to the institution), Jan BYŠKA (203 Czech Republic), Sérgio Manuel MARQUES (620 Portugal, belonging to the institution), Katarína FURMANOVÁ (703 Slovakia, belonging to the institution), Lukáš DANIEL (203 Czech Republic, belonging to the institution), Piia Pauliina KOKKONEN (246 Finland, belonging to the institution), Jan BREZOVSKÝ (203 Czech Republic, belonging to the institution), Ondřej STRNAD (203 Czech Republic, belonging to the institution), Jan ŠTOURAČ (203 Czech Republic, belonging to the institution), Antonín PAVELKA (203 Czech Republic, belonging to the institution), Martin MANAK (203 Czech Republic), Jiří DAMBORSKÝ (203 Czech Republic, belonging to the institution) and Barbora KOZLÍKOVÁ (203 Czech Republic, guarantor, belonging to the institution)

Edition

Bioinformatics, 2018, 1367-4803

Other information

Language

English

Type of outcome

Článek v odborném periodiku

Field of Study

10201 Computer sciences, information science, bioinformatics

Country of publisher

United Kingdom of Great Britain and Northern Ireland

Confidentiality degree

není předmětem státního či obchodního tajemství

References:

Impact factor

Impact factor: 4.531

RIV identification code

RIV/00216224:14330/18:00100952

Organization unit

Faculty of Informatics

UT WoS

000448782100024

Keywords in English

protein;tunnel;software;visualization

Tags

International impact, Reviewed
Změněno: 31/5/2022 17:34, RNDr. Pavel Šmerk, Ph.D.

Abstract

V originále

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.

Links

GA16-06096S, research and development project
Name: Objasnění významu dynamických tunelů pro enzymatickou katalýzu: simulace a fluorescenční experimenty
Investor: Czech Science Foundation
GA17-07690S, research and development project
Name: Metody identifikace a vizualizace tunelů pro flexibilní ligandy v dynamických proteinech (Acronym: FLigComp)
Investor: Czech Science Foundation
LM2015047, research and development project
Name: Česká národní infrastruktura pro biologická data (Acronym: ELIXIR-CZ)
Investor: Ministry of Education, Youth and Sports of the CR, Czech National Infrastructure for Biological Data
LM2015055, research and development project
Name: Centrum pro systémovou biologii (Acronym: C4SYS)
Investor: Ministry of Education, Youth and Sports of the CR
LO1214, research and development project
Name: Centrum pro výzkum toxických látek v prostředí (Acronym: RECETOX)
Investor: Ministry of Education, Youth and Sports of the CR