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This article introduces a web-based interactive MOLEonline 2.0 application for the analysis of access/egress paths to interior molecular voids. ... MOLEonline 2.0 enables platform-independent, easy-to-use and interactive analyses of (bio)macromolecular channels, tunnels and pores. ... CONCLUSIONS In this article, we described MOLEonline 2.0 (http://ncbr .muni.cz/mole or http://mole.upol.cz), a new web-based interactive tool for the analysis of molecular channels and pores. ...doi:10.1093/nar/gks363 pmid:22553366 pmcid:PMC3394309 fatcat:6va5wncwirfonmo4l4j2vsztgm
MOLEonline is an interactive, web-based application for the detection and characterization of channels (pores and tunnels) within biomacromolecular structures. ... The application enables two modes of calculation: one is dedicated to the analysis of channels while the other was specifically designed for transmembrane pores. ... The figure was generated in Pymol software (31) from a MOLEonline report. of channel analysis are available on the MOLEonline web page (https://mole.upol.cz/examples). ...doi:10.1093/nar/gky309 pmid:29718451 pmcid:PMC6030847 fatcat:6ghhwqjhqfefjdntqb3jom34ju
As a new feature, MOLE 2.0 estimates physicochemical properties of the identified channels, i.e., hydropathy, hydrophobicity, polarity, charge, and mutability. ... Thus, the predicted physicochemical properties may provide useful information about the potential functions of identified channels. The MOLE 2.0 software is available at ... Some functionality is also available in a platform-independent manner via the web-based application MOLEonline 2.0  . ...doi:10.1186/1758-2946-5-39 pmid:23953065 pmcid:PMC3765717 fatcat:qdyxgiwt6nhazjkvzmwqe4hi6a