AlphaFold accelerates artificial intelligence powered drug discovery: efficient discovery of a novel CDK20 small molecule inhibitor
| Autor: | Feng Ren, Xiao Ding, Min Zheng, Mikhail Korzinkin, Xin Cai, Wei Zhu, Alexey Mantsyzov, Alex Aliper, Vladimir Aladinskiy, Zhongying Cao, Shanshan Kong, Xi Long, Bonnie Hei Man Liu, Yingtao Liu, Vladimir Naumov, Anastasia Shneyderman, Ivan V. Ozerov, Ju Wang, Frank W. Pun, Daniil A. Polykovskiy, Chong Sun, Michael Levitt, Alán Aspuru-Guzik, Alex Zhavoronkov |
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| Rok vydání: | 2023 |
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| Zdroj: | Chemical Science. 14:1443-1452 |
| ISSN: | 2041-6539 2041-6520 |
| DOI: | 10.1039/d2sc05709c |
| Popis: | A novel CDK20 small molecule inhibitor discovered by artificial intelligence based on an AlphaFold-predicted structure demonstrates the first application of AlphaFold in hit identification for efficient drug discovery. |
| Databáze: | OpenAIRE |
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