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Metalloenzymes catalyse a wide variety of reactions in nature. In the thesis, I have studied the reaction mechanism of three metalloenzymes, viz. [NiFe] hydrogenase (H2ase), dimethyl sulfoxide reductase (DMSOR) and formate dehydrogenase (FDH), by theoretical methods, namely quantum mechanics (QM), combined quantum mechanical and molecular mechanics (QM/MM), as well as QM/MM thermodynamic cycle per

Engelska: Shakespeare på scen

Användningen av Enterprise Architecture i tre svenska storföretag

Sports Medicine Frontiers: Evidence-Based Strategies for Infection Control and Hip Health in athletes

2 februari 2026 16:00 till 18:00 | Föreläsning Welcome to an afternoon on sports medicine, featuring lectures by renowned international researchers, Professor Wayne Derman and Professor Joanne Kemp. Game On: Tackling infections in Sports with a Winning StrategyIn his talk, Wayne Derman will discuss how we in sports medicine often tend to focus on sports injuries rather than illnesses. Yet, several

https://www.lu.se/evenemang/sports-medicine-frontiers-evidence-based-strategies-infection-control-and-hip-health-athletes-0 - 2026-05-14

Assessment of Computational Methods for Ligand Binding

Most drugs act on biomacromolecules. The Cost of developing new drugs is very high. A method to accurately predict binding affinities would be very useful. We have studied molecular mechanics with generalised Born and surface--area solvation (MM/GBSA) and alchemical free energy perturbation methods (FEP) for use in calculations of ligand binding energies. For the MM/GBSA method we have tested: Ca