PROTAC virtual screening: A retrospective screening exercise
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My goal is to test whether retrospective virtual screening approaches can guide the design of PROTACs. As a first step, I showed that HADDOCK was the best protein-protein docking tool among those I tested to predict how E3 ligases interact with their protein substrates. Here, I ask whether docking virtual libraries of PROTAC candidates to these E3 ligase – substrate protein interfaces can be used to predict which PROTACs are active.
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Zenodo创建时间：
2019-09-09
