Dataset related to publication: KRAS Secondary Mutations Drive Resistance to Targeted Inhibitors: Structural Basis, Dynamic Mechanisms, and Therapeutic Strategies

Dataset related to publication:KRAS Secondary Mutations Drive Resistance to Targeted Inhibitors: Structural Basis, Dynamic Mechanisms, and Therapeutic Strategies G12D_MRTX1133: Molecular dynamics simulation trajectories of the KRAS G12D mutant in complex with MRTX1133G12D_Y96D_MRTX1133: Molecular dynamics simulation trajectories of the KRAS G12D/Y96D double mutant in complex with MRTX1133G12D_Y96S_MRTX1133: Molecular dynamics simulation trajectories of the KRAS G12D/Y96S double mutant in complex with MRTX1133 G12C_Apo: Molecular dynamics simulation trajectories of the apo KRAS G12C mutantG12D_Apo: Molecular dynamics simulation trajectories of the apo KRAS G12D mutantG12D_Y96S_Apo: Molecular dynamics simulation trajectories of the apo KRAS G12D/Y96S mutantG12D_Y96D_Apo: Molecular dynamics simulation trajectories of the apo KRAS G12D/Y96D double mutant generated by introducing the Y96D mutation into a KRAS G12D conformationG12C_Y96D_Apo: Molecular dynamics simulation trajectories of the apo KRAS G12C/Y96D double mutant generated by introducing the Y96D mutation into a KRAS G12C conformationG12C_Y96S_Apo: Molecular dynamics simulation trajectories of the apo KRAS G12C/Y96S double mutant generated by introducing the Y96S mutation into a KRAS G12C conformation G12D_R68M_active: Molecular dynamics simulation trajectories of the KRAS G12D/R68M double mutant initialized from an active-state G12D/R68M conformationG12D_TO_G12D_R68M: Molecular dynamics simulation trajectories of the KRAS G12D/R68M double mutant generated by introducing the R68M mutation into an inactive-state KRAS G12D conformationG12D_TO_G12D_Q99L: Molecular dynamics simulation trajectories of the KRAS G12D/Q99L double mutant generated by introducing the Q99L mutation into an inactive-state KRAS G12D conformation