Review
Jul 2026
Computational strategies for allosteric drug discovery: from cryptic pocket detection to rational design.
A central theme is emphasised: that generative AI delivers speed and breadth, while physics-based simulation supplies thermodynamic rigour, and that their integration, rather than either alone, defines the most promising path forward.
Sutanu Mukhopadhyay, Suman Chakrabarty
· Chemical Communications · 0 citations