Hale O'mana'o Research

Pitfalls using AlphaFold2 are diffult to accept. Modeller in ChimeraX had better values than AlphaFold2. Which do you accept in this era of AI? This Tapajos virus structure is difficult as it probably is chimeric in its glycoprotein (Mabuya lizard Mab1 and GP2 of Zaire ebolavirus). That said, it needs to be published as Tapajos virus is the first filovirus identified in Brazil. In a pit viper nonetheless (Bothrops atrox).
Any suggestions would be helpful. The AlphaFold was done in both CCP4 and ColabFold.

Final manuscript in progress.

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Success after 1 month. De novo modeling of how the novel filovirus identified in Brazil, Tapajos virus, was able to gain entry to the pit viper, Bothrops atrox NPC1 domain C recptor, similar to Ebola Zaire (template 5F1B). All modelling performed with the Comparative Modeling function in ChimeraX Modeller interface. Much more accurate than Colabfold/AlphaFold multimer. A few more steps but was well worth the effort. Binding validated by RMSD structure prediction tool (not shown).

This is a perfect example of the dangers of writer's block and taking too long to complete and submit a really good manuscript. You get scooped.

Inmediate need for a lab to do a binding analysis and structural validation. If you have funding for this project, I have the data to direct it.
Filovirus colleagues are necessary but should not require BSL4 restriction.

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