Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Liliana C. Gallegos"'
Autor:
Luke J. Dowman, Sameer S. Kulkarni, Juan V. Alegre-Requena, Andrew M. Giltrap, Alexander R. Norman, Ashish Sharma, Liliana C. Gallegos, Angus S. Mackay, Adarshi P. Welegedara, Emma E. Watson, Damian van Raad, Gerhard Niederacher, Susanne Huhmann, Nicholas Proschogo, Karishma Patel, Mark Larance, Christian F. W. Becker, Joel P. Mackay, Girish Lakhwani, Thomas Huber, Robert S. Paton, Richard J. Payne
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-12 (2022)
The modification of peptides and proteins for application in drug discovery and chemical biology is currently a rapidly growing field of research. Here, the authors report a photocatalytic diselenide contraction method for the dimerization and site-s
Externí odkaz:
https://doaj.org/article/ada06c11e046408eba2e63c6b196deda
Publikováno v:
Angewandte Chemie International Edition. 61
Real-time prediction of 1H and 13C chemical shifts with DFT accuracy using a 3D graph neural network
Publikováno v:
Chemical Science
Nuclear magnetic resonance (NMR) is one of the primary techniques used to elucidate the chemical structure, bonding, stereochemistry, and conformation of organic compounds. The distinct chemical shifts in an NMR spectrum depend upon each atom's local
Publikováno v:
Accounts of chemical research. 54(4)
Machine-readable chemical structure representations are foundational in all attempts to harness machine learning for the prediction of reactivities, selectivities, and chemical properties directly from molecular structure. The featurization of discre