Since there is no structural information of the KRAS(G12C)-GDC-6036 complex available, we utilized the existing KRAS(G12C) co-crystal structures of analogous compounds to guide our search for the simulation starting configuration of GDC-6036. To this end, we utilized adagrasib (PDB: 6UT0), ARS-1620 (5V9U) and sotorasib (6OIM), all of which share structural features with GDC-6036 (Figure ). The protein conformation was taken from the adagrasib co-crystal structure, where the conformation of Thr58 was reversed to its native conformation (found in most of the co-crystal structures of SII-P binders) . The obtained KRAS(G12C)-GDC-6036 complex, was then subjected to a total of 100 µs MD simulations, comprised of 20 independent 5 µs simulation replicas.