Consistent Prediction of Mutation Effect on Drug Binding in HIV-1 Protease Using Alchemical Calculations
Abstract Despite a large number of antiretroviral drugs targeting HIV-1 protease for inhibition, mutations in this protein during the course of patient treatment can render them inefficient. This emerging resistance inspired numerous computational studies of the HIV-1 protease aimed at predicting the effect of mutations on drug binding in terms of free binding energy ΔG, […]
Read MoreWebinar: Furthering our understanding of Antibody Structure space: the Pistoia Alliance AbVance project (2018-06-13)
BioExcel’s webinar series continue with a presentation by Sebastian Kelm and Richard Norman Register Abstract Biologic drugs are expected to contribute to more than half of therapeutic product sales by 2022, thus overtaking traditional small molecule drugs in terms of market share. Analysts predict that the global biologics market will value at over €400bn by […]
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BioExcel Whitepaper on Scientific Software Development
Do you need to write correct software for your science? Will your software need to change over time? Do you need to make your software faster, or more scalable? How will your users learn how to use your software? How will you convince people to invest in your software? What will happen when the original […]
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Scientific Project Officer, EMBL-EBI
EMBL-EBI are currently recruiting for a Scientific Project Officer to work on the social media and communication aspects of European projects. The successful applicant will work 50% of the time on BioExcel, so you’ll be joining our team! Job Description The EMBL-EBI Training team is looking for an enthusiastic science communicator to contribute to the […]
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