Dynamics-Based Peptide-MHC Binding Optimization by a Convolutional Variational Autoencoder: A Use-Case Model for CASTELO

An unsolved challenge in the development of antigen-specific immunotherapies is determining the optimal antigens to target. Comprehension of antigen-major histocompatibility complex (MHC) binding is paramount toward achieving this goal. Here, we apply CASTELO, a combined machine learning-molecular d...

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Bibliographic Details

Published in:	Journal of chemical theory and computation Vol. 17; no. 12; p. 7962
Main Authors:	Bell, David R, Domeniconi, Giacomo, Yang, Chih-Chieh, Zhou, Ruhong, Zhang, Leili, Cong, Guojing
Format:	Journal Article
Language:	English
Published:	United States 14.12.2021
ISSN:	1549-9626, 1549-9626
Online Access:	Get more information
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