Biophysical and Bioengineering Methods for the Study of the Complement System at Atomic Resolution

We present examples from our research in the fields of immunophysics, structural bioinformatics, design of proteins with tailored activities, and rational drug design. Our aim is to understand the function of the complement system, which is part of innate immunity, and to design regulators and inhibitors against illregulated activation of the complement system. We use atomic resolution computational and spectroscopic methods, such as molecular dynamics simulations, electrostatic calculations, and nuclear magnetic resonance. Specifically, we discuss the role of structure, dynamics, and electrostatics in (i) protein-protein association, (ii) classification of bioactivities, (iii) protein design, and (iv) drug design and optimization. Key-Words: Immunophysics, Biocomputation, Molecular Dynamics, Electrostatics, Poisson-Boltzmann, Electrostatic Similarity Index, NMR, Complement System, Complement Control Protein