Adaptation of the REINVENT neural network architecture to generate potential HIV-1 entry inhibitors

Adaptation of the REINVENT neural network architecture to generate potential HIV-1 entry inhibitors

Objectives. The main purpose of this work is to adapt the architecture of the REINVENT neural network to generate potential inhibitors of the HIV-1 envelope protein gp120 using in the learning process with reinforcement of molecular docking on GPUs.Methods. To modify the initial network model, molec...

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Bibliographic Details
Main Authors: D. A. Varabyeu, A. D. Karpenko, A. V. Tuzikov, A. M. Andrianov
Format: Article
Language:Russian
Published: National Academy of Sciences of Belarus, the United Institute of Informatics Problems 2024-09-01
Series:Informatika
Subjects:
generative ai
reinforcement learning
computer-aided drug design
molecular docking
hiv-1
gp120 protein
anti-hiv drugs
Online Access:https://inf.grid.by/jour/article/view/1298
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