MOLEonline: a web-based tool for analyzing channels, tunnels and pores (2018 update)

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F18%3A73591498" target="_blank" >RIV/61989592:15310/18:73591498 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216224:14740/18:00103406

Výsledek na webu

<a href="https://academic.oup.com/nar/article/46/W1/W368/4990029" target="_blank" >https://academic.oup.com/nar/article/46/W1/W368/4990029</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1093/nar/gky309" target="_blank" >10.1093/nar/gky309</a>

Jazyk výsledku

angličtina

Název v původním jazyce

MOLEonline: a web-based tool for analyzing channels, tunnels and pores (2018 update)

Popis výsledku v původním jazyce

MOLEonline is an interactive, web-based application for the detection and characterization of channels (pores and tunnels) within biomacromolecular structures. The updated version of MOLEonline overcomes limitations of the previous version by incorporating the recently developed LiteMol Viewer visualization engine and providing a simple, fully interactive user experience. The application enables two modes of calculation: one is dedicated to the analysis of channels while the other was specifically designed for transmembrane pores. As the application can use both PDB and mmCIF formats, it can be leveraged to analyze a wide spectrum of biomacromolecular structures, e.g. stemming from NMR, X-ray and cryo-EM techniques. The tool is interconnected with other bioinformatics tools (e.g., PDBe, CSA, ChannelsDB, OPM, UniProt) to help both setup and the analysis of acquired results. MOLEonline provides unprecedented analytics for the detection and structural characterization of channels, as well as information about their numerous physicochemical features. Here we present the application of MOLEonline for structural analyses of alpha-hemolysin and transient receptor potential mucolipin 1 (TRMP1) pores.

Název v anglickém jazyce

MOLEonline: a web-based tool for analyzing channels, tunnels and pores (2018 update)

Popis výsledku anglicky

MOLEonline is an interactive, web-based application for the detection and characterization of channels (pores and tunnels) within biomacromolecular structures. The updated version of MOLEonline overcomes limitations of the previous version by incorporating the recently developed LiteMol Viewer visualization engine and providing a simple, fully interactive user experience. The application enables two modes of calculation: one is dedicated to the analysis of channels while the other was specifically designed for transmembrane pores. As the application can use both PDB and mmCIF formats, it can be leveraged to analyze a wide spectrum of biomacromolecular structures, e.g. stemming from NMR, X-ray and cryo-EM techniques. The tool is interconnected with other bioinformatics tools (e.g., PDBe, CSA, ChannelsDB, OPM, UniProt) to help both setup and the analysis of acquired results. MOLEonline provides unprecedented analytics for the detection and structural characterization of channels, as well as information about their numerous physicochemical features. Here we present the application of MOLEonline for structural analyses of alpha-hemolysin and transient receptor potential mucolipin 1 (TRMP1) pores.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2018

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

NUCLEIC ACIDS RESEARCH

ISSN

0305-1048

e-ISSN

—

Svazek periodika

46

Číslo periodika v rámci svazku

W1

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

6

Strana od-do

"W368"-"W373"

Kód UT WoS článku

000438374100059

EID výsledku v databázi Scopus

2-s2.0-85050854996