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Accelerated rational PROTAC design via deep learning and molecular simulations.
Shuangjia Zheng
Youhai Tan
Zhenyu Wang
Chengtao Li
Zhiqing Zhang
Xu Sang
Hongming Chen
Yuedong Yang
Published in:
Nat. Mac. Intell. (2022)
Keyphrases
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deep learning
molecular dynamics
pattern recognition
machine learning
unsupervised learning
unsupervised feature learning
data sets
computer vision
multiscale
object recognition
high dimensional
multi class
long range