Daniel Parton

Table of contents

2

Would it be possible to add a table of contents feature? The user would type something in the note such as `[toc]` or `{{TOC}}`, and the renderer would generate a...

Disulfide bonds

1

This is some analysis of disulfide bonds in protein kinases, to help with deciding how to handle them in Ensembler. Also, this is a long message - for a quick...

Default pH for refinement stages is currently 8 - change to 7?

4

I believe we decided to use 8 because it matches the buffer we use in our experimental assays. However, I think for the general user, it would make more sense...

Take a closer look at pH and protonation state selection

2

We currently set the pH at 8.0 using OpenMM's Modeller tool, since this is the pH of our typical kinase buffer. Take a closer look at optimal pH choice and...