Journal
NUCLEIC ACIDS RESEARCH
Volume 46, Issue W1, Pages W368-W373Publisher
OXFORD UNIV PRESS
DOI: 10.1093/nar/gky309
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Funding
- ELIXIR CZ research infrastructure project (MEYS) [LM2015047]
- Ministry of Education, Youth and Sports of the Czech Republic under the project CEITEC 2020 [LQ1601]
- ELIXIR-EXCELERATE project
- European Union's Horizon 2020 research and innovation programme [676559]
- Czech Science Foundation [P208/12/G016]
- Ministry of Education, Youth and Sports of the Czech Republic [NPUII LO1305]
- Palacky University Olomouc [IGA_PrF_2018_032]
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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.
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