Conformational Sampling Deciphers the Chameleonic Properties of a VHL-Based Degrader

• Main Authors: Giuseppe Ermondi (Author), Diego Garcia Jimenez (Author), Matteo Rossi Sebastiano (Author), Jan Kihlberg (Author), Giulia Caron (Author)
• Format: Book
• Published: MDPI AG, 2023-01-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

Chameleonicity (the capacity of a molecule to adapt its conformations to the environment) may help to identify orally bioavailable drugs in the beyond-Rule-of-5 chemical space. Computational methods to predict the chameleonic behaviour of degraders have not yet been reported and the identification o...