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Mixture-of-Experts Based Dissociation Kinetic Model for De Novo Design of HSP90 Inhibitors with Prolonged Residence Time
Demography
Organic Chemistry
Materials Chemistry
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Authors
Yujing Zhao
,
Lei Zhang
Siwen Gu
,
Qingwei Meng
,
Li Zhang
,
Heshuang Wang
,
Liang Sun
,
Qilei Liu
+6 authors
,
Jian Du
Journal
Journal of Chemical Information and Modeling
Published
Nov 4, 2024
DOI
10.1021/acs.jcim.4c00726
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