正愁怎么通过计算机模拟，推测出我们的小分子是结合在蛋白质的哪个部位，然后作几个mutation验证呢。。。老的软件太差劲了，出来的结构往往和真实世界差很多，复杂结构的分子，一个结构就是学校最先进的计算机也要几天才能算出来。。。。
DeepMind solves 50-year-old ‘grand challenge’ with protein folding A.I.
- DeepMind has developed a piece of AI software called “AlphaFold” that can accurately predict the structure that proteins will fold into in a matter of days.
- Predicting the shape that a protein will fold into is important because it determines their function and nearly all diseases, including cancer and dementia, are related to how proteins function.
- “DeepMind has jumped ahead,” said Professor John Moult, who is the chair of a group called CASP (Critical Assessment for Structure Prediction).
- https://www.cnbc.com/2020/11/30/deepmind-solves-protein-folding-grand-challenge-with-alphafold-ai.html
