Dataset II related to publication: Beyond KRAS(G12C): biochemical and computational characterization of sotorasib and adagrasib binding specificity and the critical role of H95 and Y96

MD simulation data (KRAS(G12C) and KRAS(G12C/Y96D)) related to publication: "Beyond KRAS(G12C): biochemical and computational characterization of sotorasib and adagrasib binding specificity and the critical role of H95 and Y96". ACS Chem. Biol. 2024, XXXX, XXX, XXX-XXX https://pubs.acs.org/doi/10.1021/acschembio.4c00315 The .zip files contain raw Desmond simulation trajectories of KRAS(G12C) and KRAS(G12C/Y96D) with apo SII-P or in complex with sotorasib [5 replicas; each 4 us] (-out.cms files and trajectories). Related datasets: 10.5281/zenodo.10812233