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[Wang, Ercheng, Huiyong Sun, Junmei Wang, Zhe Wang, Hui Liu, John ZH Zhang, and Tingjun Hou. "End-point binding free energy calculation with MM/PBSA and MM/GBSA: strategies and applications in drug de…
cramg updated
3 years ago
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Big picture and reviews (no specific models)
- [Predictive validity in drug discovery: what it is, why it matters and how to improve it](https://www.nature.com/articles/s41573-022-00552-x)
- [How …
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Hello!
I just read through your strategies from 2020. Do you ever get around to doing this or perhaps have anything like a paper? I would want to do something like this or along the lines of this t…
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Have you read through the rules from the `README.md` file in the root folder of this GitHub repository?
yes
Summary: I believe that Heroin and the processing of the drug should be brought into the…
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After World War II, antibiotics were considered "wonder drugs", since they were easy cures for what had been intractable ailments. To learn which drug worked most effectively for which bacterial infec…
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>One of the main causes for failure in the drug development pipeline or withdrawal post approval is the unexpected occurrence of severe drug adverse events. Even though such events should be detected …
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When i am opening [hamdanglobal](https://hamdanglobal.co/) on my iphone browser it shows " page not found 404 error. Anyone know how to fix it?
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Drug and drop the "ebeam_ring_singlebus_te1550" element from the Design Kits folder to the schematic editor runs into a endless loop of asking for s-parameters and adding other copies of this same ele…
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Let's do an RDKIT based example that shows the process of using SageWorks for rapid prototyping.
References:
- https://www.kaggle.com/code/vladislavkisin/tutorial-ml-in-chemistry-research-rdkit-mo…
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Using the code in https://github.com/SuLab/faers, Greg parsed FAERS data for drug indications and produced this file https://zenodo.org/record/1436000#.XWcVWShKguU. In that file (record 836), there a…