Molecular Simulations in Chemical Biology (6CFU)
Prof. Stefano A. Serapian
Period: March-April
The goal of this course is to prepare students to address problems at the intersection of chemistry and biology with the help of computational molecular simulations. The program gives students a foundation in the principal computational chemistry strategies for understanding complex chemical processes in biological systems at an atomic level, and provides training in the approaches used to select, design and optimize molecules as chemical tools and drug candidates for pharmaceutical applications.
Particular attention will be given to the presentation of computational methods able to capture the chemical determinants of biological function with respect to atomic, molecular, and cellular levels of organization and to the translation of this information into molecular design principles. Specific examples from the literature will be discussed during the course. Depending on the students’ background, the necessary basic concepts will be briefly introduced or revised.
Final Exam: Oral discussion on the general aspects of the course and on an article chosen by the student from available literature