Open access
Jul 2026
Unveiling the KRAS Relationship between Affinity and Dynamics: A Molecular Simulations Study
Kirsten rat sarcoma virus protein (KRAS) is one of the most important targets in current drug discovery. Its intrinsic properties, including a high structural flexibility and a shallow polar pocket, make KRAS extremely difficult to target. In fact, for a long time it was considered undruggable. A better understanding o...
Nadine Grundschober, Viktorija Dujmovic, C. Oostenbrink et al.
· Journal of Chemical Informat... · 0 citations