Harnessing free energy calculations for kinome-wide selectivity in drug discovery campaigns with a Wee1 case study
- Jennifer Lynn Knight
- Anthony J. Clark
- Jiashi Wang
- Andrew Placzek
- Pieter H. Bos
- Sathesh Bhat
- Jeffrey A. Bell
- Sarah Silvergleid
- Wu Yin
- Felicia Gray
- Shaoxian Sun
- Karen Akinsanya
- Robert Abel
- Aleksey I. Gerasyuto
2025-08-26