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Cheminformatic Tutorials

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    Fitness landscape for antibodies (Flab2)

    There have been many AI models to predict the structure of proteins, especially antibodies. There are several key aspects to developing antibodies as drugs beyond binding to the target of interest. These are : thermostability, expression, aggregation, binding affinity, pharmacokinetics, polyreactivity and immunogenicity. There have been many models available such as IgLM, ProGen2, Chai-1, ESM2,…

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    Antifungals

    There are several antifungals in the market and it is difficult to understand how many more are needed since there are quite a few in the market. One major use is for treatment of Athelete’s foot. Fungi contain cell wall made up of beta-1-3-glucan, other glucans and gylcoprotein. Below the cell wall there is a…

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    Personalized health

    There are many companies that offer personalized health solutions to help individuals. Some offer imaging services while others are more specific: for cancer diagnosis or hormone levels. Consider some examples: Personalis: Cancer Biomarker Discovery through liquid biopsy and other precision oncology tools. They have collaborations with many institutions but it is not clear what makes…

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    Virtual cell

    Hani Goodrazi – Arc institute has been working on virtual cell. Drugs fail due to overfit experimental models, You need screen drugs with better models of human biology. Geneva is platfrom that brings tumor models into perturbation model – that is a transcriptomics assay that deconvolves into effect. Take multiple cell line and then treat…