Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Mingyi Xue"'
Uncovering slow collective variables (CVs) of self-assembly dynamics is important to elucidate its numerous kinetic assembly pathways and drive the design of novel structures for advanced materials through the bottom-up approach. However, identifying
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d68718230feeb45c8de1062cfc96fa30
https://doi.org/10.26434/chemrxiv-2023-v0dwk
https://doi.org/10.26434/chemrxiv-2023-v0dwk
Autor:
Eshani Chrisana Goonetilleke, Xin Gao, Xuhui Huang, Michael Alexander Suarez Vasquez, Jordy Homing Lam, Mingyi Xue
Fragment-based drug design plays an important role in the drug discovery process by reducing the complex small-molecule space into a more manageable fragment space. We leverage the power of deep learning to design ChemPLAN-Net; a model that incorpora
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a58c36773bd4f6db0ea662186c31476b
https://doi.org/10.1101/2021.08.08.455375
https://doi.org/10.1101/2021.08.08.455375