Artificial Intelligence Deconstructs Drug Targeting In Vivo by Leveraging a Transformer Platform

被引：1
作者：
Fernandez, Ariel [1 ,2 ]
机构：
[1] AF Innovat Pharma Consultancy GmbH, Daruma Inst AI Pharmaceut Res, Winston Salem, NC 27106 USA
[2] Natl Res Council Sci & Technol, CONICET INQUISUR, RA-1033 Buenos Aires, DF, Argentina
来源：
ACS MEDICINAL CHEMISTRY LETTERS | 2021年 / 12卷 / 07期
关键词：
In vivo protein folding; drug-induced protein folding; artificial intelligence; transformer; molecular dynamics; structure-based drug design;
D O I：
10.1021/acsmedchemlett.1c00237
中图分类号：
R914 [药物化学];
学科分类号：
100701 ;
摘要：
Lead optimization in structure-based drug design ultimately requires that the therapeutic agent be evaluated in the cellular context. However, the in vivo control of the target structure remains unyielding to computational modeling. This situation may change as transformer technologies enable a deconstruction of in vivo cooperativity steering drug-induced protein folding.
引用
收藏
页码：1052 / 1055
页数：4
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