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Tweets:
@egonwillighagen @cdsouthan @xanderpico @Chris_Evelo Hi gents - most OSM targets not known. Phenotypic discovery. Series 4 likely PfATP4 1/2
https://twitter.com/MatToddChem/status/61041511037…
egonw updated
9 years ago
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Hi @edwintse @TomkUCL @lindapatio @jemimahaque
We need more about the project on the wiki - describing the story so far.
https://github.com/StructuralGenomicsConsortium/CNP4-Nsp13-C-terminus-B/…
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**UPDATE: Competition Deadline Extended to 31st March 2017. All necessary data can be found [here](https://docs.google.com/spreadsheets/d/1WWP8fE3X2BLzZ7jOm6bRWpnHZqVJBf8XgIYEb7hshXU/edit) (contains a…
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貼吧活動：(請查閱 [SARS-CoV-2 Timeline by 2020.02.21](https://github.com/agorahub/_meta/blob/agoran/theagora/sari/Memorandum_2020-02-21_SARS-CoV-2-Timeline_Nathan.pdf?raw=true), by Nathan :cloud: )
- Colla…
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I think I am running out of memory even with 392GB for running standard pipeline for molecules size of ribociclib (62 atoms). The input for python poltype.py is:
```
structure=ribociclib.sdf
scrat…
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Relevant to other issues (e.g. #15) but a specific question related to the large numbers of molecules arising from the @kipUNC generative methods. **How do we triage suggestions?**
1) Kostya mentio…
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When two lines have the same "title" AND "year" AND "authors" keep only one (the first? the most complete?)
Below the three key in ISI and SCOPUS:
- title --> ISI = TI / Scopus = Title
- year -->…
tommv updated
3 years ago
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The team need to decide which compounds to synthesise next and it would be good to have 10-20 to focus on.
ESAC made some recommendations:
- Aim for log P between 1.5 and 3.5
- Use more heteroaryls, …