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Four-year college students drink more, use marijuana less than community college peers

Four-year college students drink more, use marijuana less than community college peers
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Quickly Calculating Drug–Target Binding Affinity With Machine Learning


 
MIT researchers have developed a machine learning-based technique to more quickly calculate the binding affinity of a drug molecule (represented in pink) with a target protein (the circular structure). Credit: MIT News, Xinqiang Ding and Bin Zhang
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Drugs can only work if they stick to their target proteins in the body. Assessing that stickiness is a key hurdle in the drug discovery and screening process. New research combining chemistry and machine learning could lower that hurdle.
The new technique, dubbed DeepBAR, quickly calculates the binding affinities between drug candidates and their targets. The approach yields precise calculations in a fraction of the time compared to previous state-of-the-art methods. The researchers say DeepBAR could one day quicken the pace of drug discovery and protein engineering. ....

United States , Zhangb Deep , Michael Gilson , Broad Institute , Department Of Chemistry , Laubach Career Development Professor In Chemistry , University Of California At San Diego , Bin Zhang , Pfizer Laubach Career Development Professor , Physical Chemistry , Xinqiang Ding , San Diego , ஒன்றுபட்டது மாநிலங்களில் , மைக்கேல் கில்சன் , பரந்த நிறுவனம் , துறை ஆஃப் வேதியியல் , லாபாக் தொழில் வளர்ச்சி ப்ரொஃபெஸர் இல் வேதியியல் , பல்கலைக்கழகம் ஆஃப் கலிஃபோர்னியா இல் சான் டியாகோ , பின் ஜாங் , ஃபைசர் லாபாக் தொழில் வளர்ச்சி ப்ரொஃபெஸர் , உடல் வேதியியல் , சான் டியாகோ ,