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Hi Marco,
Thanks for making such beautiful, the performance is just amazing.
Is there any way to serialize a the contents of a viewer and reload them into another viewer?
I tried dumping the cont…
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GO:0036459 thiol-dependent ubiquitinyl hydrolase activity
Catalysis of the thiol-dependent hydrolysis of an ester, thioester, amide, peptide or isopeptide bond formed by the C-terminal glycine of ubiq…
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This is a question for @cbayly13, @davidlmobley, @pgrinaway, and others to chime in on.
My original goal was to replace the OpenMM `simtk.openmm.app.ForceField` class with a works-alike class, but I …
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"A Grand System of Gasses, Leaks and Pumping"
How should we proceed from the room-based solution that we have now, with gases leaking through doors and open airlocks? I've seen several mentions of pi…
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To better take advantage of the existing [forcefield parameter assignment code from OpenMM](https://github.com/pandegroup/openmm/blob/master/wrappers/python/simtk/openmm/app/forcefield.py), I wanted t…
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I'm curating the VPS4 complex [e.g. Q9UN37 (VPS4A_HUMAN), O75351 (VPS4B_HUMAN)] which has
GO:0016887 ATPase activity, probably even GO:0042623 ATPase activity, coupled.
(It dissociates the ESCRT-III…
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Technically they're not in the hierarchy, but I think it's a good idea. Alternatively we could add a flag (show_representations=false) or even a different function like show_representations(). What do…
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CHEBI:16715 has a wrong formula: C6H8O6
whereas it should be C6H10O5
Consequently RhEA:20665 is considered as unbalanced...
This formula comes from KEGG compound C06485 ???
General question: why fo…
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auxins are plant proteins that have a role as hormones regulation plant develeopment.
The representation of this is rather odd in CHEBI:
./ CHEBI:50906 ! role
..is_a CHEBI:24432 ! biological role
..…
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Hi,
Can you share the partition stability code for proteins which was published in Physical biology as well as in Molecular Biosystems.
Regards
Rakesh