Structural determinants of multivalent binding dynamics
(C10*)
Subject Area
Theoretical Chemistry: Electronic Structure, Dynamics, Simulation
Term
from 2016 to 2019
Project identifier
Deutsche Forschungsgemeinschaft (DFG) - Project number 32049920
In this project, we will investigate the rebinding effect of a range of multivalent systems using molecular-dynamics simulations and Markov models of the conformational dynamics. The system were chosen such that they exhibit significantly different binding dynamics. We will devise models which link the structure of multivalent complex, the conformational dynamics of its constituents to the rebinding effect. The models of the conformational dynamics and the binding dynamics will contribute to the development of inhibitors for the investigated systems.
DFG Programme
Collaborative Research Centres
