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The PROTONIX project aims to enhance drug discovery for cancer and cardiovascular diseases by improving the accuracy of molecular simulations. It focuses on predicting protein protonation states using machine learning, which is crucial for accurate drug binding affinity predictions, thus speeding up the drug developmen…
Cancer and cardiovascular diseases are the leading causes of death in the EU, resulting in 54% of deaths in 2021.
There is an urgent need for more effective therapeutics for these diseases, but drug discovery is slow, taking 16 to 20 years from target identification to drug approval.To accelerate drug discovery, pharmaceutical companies use computational tools.
Among the most successful are physical molecular simulations, which are limited by the availability of experimental structural data. A n…
FREIE UNIVERSITAET BERLIN
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Sloan-Kettering Institute for Cancer Research CORPORATION
United States, New York
Type: Research institute
Activity type: Research Organisations
SME: No
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