witekgabriela/StructuralStudy_ALKCompoundMutations: Circulating tumor DNA reveals mechanisms of lorlatinib resistance in patients with relapsed/refractory ALK-driven neuroblastoma

This repository contains structural files, molecular dynamics (MD) files, induced fit docking (IFD) files, and ordinary differential equations (ODE) files used to model resistance to lorlatinib in ALK with secondary mutations. Lorlatinib is a third generation small molecule inhibitor developed to target mutated ALK. Treatment with lorlatinib shows emergence of secondary mutations in ALK.