Crystallography Meets Medicinal Chemistry: an Introductory Course

This course will offer a foundational introduction to crystallography, providing an overview of the steps that lead to the determination of the 3D structure of drugs and protein-ligand complexes. The theoretical lectures will present the basic principles of this technique and its applications in drug discovery and optimization. In the practical workshops, the participants will apply the most common methods to obtain single crystals and analyze and interpret structural data. Theoretical lecture 1: "Principles of crystallography and crystallization". Practical workshop 1: "No structure without crystal, the long road to get it". Theoretical lecture 2: "From diffraction data to model building and validation". Practical workshop 2: "From refinement to structure" (in the computer lab).