|
TBA
Abstract: TBA |
|
Related publications:
How Proteins Bind Macrocycles, E. A. Villar, D. Beglov, S. Chennamadhavuni, J. A. Porco Jr, D. Kozakov, S. Vajda, A. Whitty, Nat. Chem. Bio. 2014, 10, 723-731.
Why Some Targets Benefit from beyond Rule of Five Drugs, M. Egbert, A. Whitty, G. M. Keserü, S. Vajda, J. Med. Chem. 2019, 62, 22, 10005-10025.
Defining and Navigating Macrocycle Chemical Space, L. A. Viarango-Baker, L. E. Brown, A. A. Rzepiela, A. Whitty, Chem. Sci. 2021, 12, 4309-4328.
Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning, P. C. Ortet, S. N. Muellers, L. A. Viarengo-Baker, K. Streu, B. R. Szymczyna, A. B. Beeler, K. N. Allen, A. Whitty, J. Am. Chem. Soc. 2021, 143, 10, 3779-3793.
How Proteins Bind Macrocycles, E. A. Villar, D. Beglov, S. Chennamadhavuni, J. A. Porco Jr, D. Kozakov, S. Vajda, A. Whitty, Nat. Chem. Bio. 2014, 10, 723-731.
Why Some Targets Benefit from beyond Rule of Five Drugs, M. Egbert, A. Whitty, G. M. Keserü, S. Vajda, J. Med. Chem. 2019, 62, 22, 10005-10025.
Defining and Navigating Macrocycle Chemical Space, L. A. Viarango-Baker, L. E. Brown, A. A. Rzepiela, A. Whitty, Chem. Sci. 2021, 12, 4309-4328.
Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning, P. C. Ortet, S. N. Muellers, L. A. Viarengo-Baker, K. Streu, B. R. Szymczyna, A. B. Beeler, K. N. Allen, A. Whitty, J. Am. Chem. Soc. 2021, 143, 10, 3779-3793.
