Моделювання біохімічних процесів за допомогою гібридних квантово-механічних/молекулярно-механічних методів QM/MM в NAMD та ORCA

Learn about modeling biochemical processes using hybrid quantum-mechanical/molecular-mechanical (QM/MM) methods through this comprehensive lecture from the University of Helsinki, Finland. Explore the implementation of these advanced computational techniques within the NAMD and ORCA software packages, gaining insights into how these tools can be applied to study DNA and other biological systems. The presentation, delivered by O.O. Zdorevsky at the Bogolyubov Institute for Theoretical Physics, delves into the theoretical foundations and practical applications of combining quantum mechanical calculations with molecular mechanics for investigating complex biochemical reactions and processes.