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Dynamics-Based Peptide-MHC Binding Optimization by a Convolutional Variational Autoencoder: A Use-Case Model for CASTELO.
Bell, David R; Domeniconi, Giacomo; Yang, Chih-Chieh; Zhou, Ruhong; Zhang, Leili; Cong, Guojing.
Affiliation
  • Bell DR; IBM Thomas J. Watson Research Center, Yorktown Heights, New York 10598, United States.
  • Domeniconi G; Advanced Biomedical Computational Science, Frederick National Laboratory for Cancer Research, Frederick, Maryland 21701, United States.
  • Yang CC; IBM Thomas J. Watson Research Center, Yorktown Heights, New York 10598, United States.
  • Zhou R; IBM Thomas J. Watson Research Center, Yorktown Heights, New York 10598, United States.
  • Zhang L; IBM Thomas J. Watson Research Center, Yorktown Heights, New York 10598, United States.
  • Cong G; Zhejiang University, 688 Yuhangtang Road, Hangzhou 310027, China.
J Chem Theory Comput ; 17(12): 7962-7971, 2021 Dec 14.
Article in En | MEDLINE | ID: mdl-34793168
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Peptides / Machine Learning Type of study: Prognostic_studies Language: En Journal: J Chem Theory Comput Year: 2021 Document type: Article Affiliation country: Estados Unidos Country of publication: Estados Unidos
Fulltext
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Peptides / Machine Learning Type of study: Prognostic_studies Language: En Journal: J Chem Theory Comput Year: 2021 Document type: Article Affiliation country: Estados Unidos Country of publication: Estados Unidos