Computationally-guided optimization of small-molecule inhibitors of the Aurora A kinase–TPX2 protein–protein interaction — D. J. A. Cole (2017) | RDL Network
Computationally-guided optimization of small-molecule inhibitors of the Aurora A kinase–TPX2 protein–protein interaction
Chemical Communications 53(67): 9372-9375
Article 2017 English
Authors
DC
D. J. A. Cole
MJ
M. Janecek
JS
Jamie E. Stokes
Abstract
1 min read
Computational binding free energy predictions were validated against experiment and used to design new inhibitors of an important protein–protein interaction.
Elyasa Mustafa Elfaki, Hassan H. Alhassan, Mehnaz Kamal, Maher M. Al-Enazi, Malik Abdul Rub, Abdullah Mohamed Asiri, Maroof Ali, Hadi M. Marwani, Salem Hussain Alharethi, Maha M. Alotaibi, Naved Azum
Dennis L. Buckley, Jeffrey L. Gustafson, Inge Van Molle, Anke G. Roth, Hyun Seop Tae, Peter C. Gareiss, William L. Jorgensen, Alessio Ciulli, Craig M. Crews
Discussion(0)
No comments yet. Be the first to comment.