Zobrazeno 1 - 10
of 97
pro vyhledávání: '"Masahito Ohue"'
Autor:
Wenxing Hu, Masahito Ohue
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 23, Iss , Pp 1214-1225 (2024)
Rapid advancements in protein sequencing technology have resulted in gaps between proteins with identified sequences and those with mapped structures. Although sequence-based predictions offer insights, they can be incomplete due to the absence of st
Externí odkaz:
https://doaj.org/article/88280cb7ec0e408198c39d55acc062a9
Autor:
Apakorn Kengkanna, Masahito Ohue
Publikováno v:
Communications Chemistry, Vol 7, Iss 1, Pp 1-14 (2024)
Abstract Graph Neural Networks (GNNs) excel in compound property and activity prediction, but the choice of molecular graph representations significantly influences model learning and interpretation. While atom-level molecular graphs resemble natural
Externí odkaz:
https://doaj.org/article/10fa9e49f54348f6b9166b438558c7d0
Autor:
Toshiki Ochiai, Tensei Inukai, Manato Akiyama, Kairi Furui, Masahito Ohue, Nobuaki Matsumori, Shinsuke Inuki, Motonari Uesugi, Toshiaki Sunazuka, Kazuya Kikuchi, Hideaki Kakeya, Yasubumi Sakakibara
Publikováno v:
Communications Chemistry, Vol 6, Iss 1, Pp 1-14 (2023)
Abstract The structural diversity of chemical libraries, which are systematic collections of compounds that have potential to bind to biomolecules, can be represented by chemical latent space. A chemical latent space is a projection of a compound str
Externí odkaz:
https://doaj.org/article/e5457904f4f54e489f843f4e0261fb18
Autor:
Masahito Ohue
Publikováno v:
BMC Research Notes, Vol 16, Iss 1, Pp 1-4 (2023)
Abstract Motivation Since the advent of ColabFold, numerous software packages have been provided with Google Colaboratory-compatible ipynb files, allowing users to effortlessly test and reproduce results without the need for local installation or con
Externí odkaz:
https://doaj.org/article/377ad817dc7a47efb0b9520002e74003
Publikováno v:
Frontiers in Molecular Biosciences, Vol 10 (2023)
Externí odkaz:
https://doaj.org/article/c6b1e0a1ec9a424099b712db148f2fe3
Autor:
Takatsugu Kosugi, Masahito Ohue
Publikováno v:
International Journal of Molecular Sciences, Vol 24, Iss 17, p 13257 (2023)
More than 930,000 protein–protein interactions (PPIs) have been identified in recent years, but their physicochemical properties differ from conventional drug targets, complicating the use of conventional small molecules as modalities. Cyclic pepti
Externí odkaz:
https://doaj.org/article/0a5aebc5ac5f42798a4329c209442ae4
Publikováno v:
Molecules, Vol 28, Iss 15, p 5652 (2023)
Protein-protein interactions (PPIs) are associated with various diseases; hence, they are important targets in drug discovery. However, the physicochemical empirical properties of PPI-targeted drugs are distinct from those of conventional small molec
Externí odkaz:
https://doaj.org/article/afa09c222dce4584904631c70b5d72f0
Publikováno v:
Frontiers in Molecular Biosciences, Vol 9 (2022)
Externí odkaz:
https://doaj.org/article/59e59842de28456ba517bc0748db7837
Autor:
Takatsugu Kosugi, Masahito Ohue
Publikováno v:
Biomedicines, Vol 10, Iss 7, p 1626 (2022)
New protein–protein interactions (PPIs) are identified, but PPIs have different physicochemical properties compared with conventional targets, making it difficult to use small molecules. Peptides offer a new modality to target PPIs, but designing a
Externí odkaz:
https://doaj.org/article/52ad9b08839f40068a45ccb9f14ea0b1
Autor:
Takashi Tajimi, Naoki Wakui, Keisuke Yanagisawa, Yasushi Yoshikawa, Masahito Ohue, Yutaka Akiyama
Publikováno v:
BMC Bioinformatics, Vol 19, Iss S19, Pp 157-170 (2018)
Abstract Background Cyclic peptide-based drug discovery is attracting increasing interest owing to its potential to avoid target protein depletion. In drug discovery, it is important to maintain the biostability of a drug within the proper range. Pla
Externí odkaz:
https://doaj.org/article/0ed76e80a8bf45c2ad9982a5720bda3f