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As noted in https://github.com/choderalab/perses/pull/64#issuecomment-172665228, we have to think about how to handle protonation and tautomeric states within perses.
We have a few options for this. …
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I am not sure if my attempt makes sense or not, but I want to include all the active bugs in one single version of a project. The reason why I want to do this is that I want to do a regression test ca…
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> Millions of human genomes and exomes have been sequenced, but their clinical applications remain limited due to the difficulty of distinguishing disease-causing mutations from benign genetic variati…
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Dear Author,
I got the message as shown below when trying to run the final step run_isown.pl:
perl /workplace/Software/ISOWN/bin/run_isown.pl 181023001/ 181023001/181023001.isown.txt "-trainingS…
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Reviewing the annotation intersection violations alerted us to:
https://amigo.geneontology.org/amigo/reference/PMID:12485443
This paper describes plasma membrane lipid profiling, and as such isn't…
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Dear all,
I am trying to create a pipeline to automate the binding energy calculation of several variants of a homotetrameric protein in complex with a medium/big-sized ligand (CoA). I haven't deci…
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My data set is a protein sequence, such as "ABCDLSGFNKZDF", which does not involve a 3D structure and has no pdb file. How should I convert it into a SA sequence? Thanks
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_The below text was used in an application submitted by @mattodd in Feb 2019 to the [AI3SD](http://www.ai3sd.org/) network for funding. The title was "Predicting the Activity of Drug Candidates when t…
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While leading full undead army hero has neutral morale indicator.
![image](https://user-images.githubusercontent.com/55348946/102482711-b3b06d00-4074-11eb-948f-5cf4e2aee5de.png)
I suggest always sh…
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Hello,
Thank you for an amazing tool! In your README you are saying Puffin can be used for "Predict the effect of mutations on transcription initiation and study its mechanisms." If I have a VCF fi…