Multiscale calculations reveal new insights into the reaction mechanism between KRASG12C and α, β-unsaturated carbonyl of covalent inhibitors
Utilizing α,β-unsaturated carbonyl group as Michael acceptors to react with thiols represents a successful strategy for developing KRASG12C inhibitors. Despite this, the precise reaction mechanism between KRASG12C and covalent inhibitors remains a subject of debate, primarily due to the absence of a...
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| 主要な著者: | , , , , , , , |
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| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
American Association for the Advancement of Science (AAAS)
2024-12-01
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| シリーズ: | Computational and Structural Biotechnology Journal |
| 主題: | |
| オンライン･アクセス: | http://www.sciencedirect.com/science/article/pii/S2001037024000813 |
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