TY - GEN A1 - Fackeldey, Konstantin A1 - Weber, Marcus T1 - COMPUTING THE MINIMAL REBINDING EFFECT INCLUDED IN A GIVEN KINETICS N2 - In this article we show, that the binding kinetics of a molecular system can be identi� ed by a projection of a continuous process onto a � nite number of macro states. We thus interpret binding kinetics as a projection. When projecting onto non-overlapping macro states the Markovianity is spoiled. As a consequence, the description of e.g. a receptor-ligand system by a two state kinetics is not accurate. By assigning a degree of membership to each state, we abandon the non-overlapping approach. This overlap is crucial for a correct mapping of binding e� ects by Markov State Models with regard to their long time behavior. It enables us to describe the highly discussed rebinding e� ect, where the spatial arrangement of the system has the be included. By introducing a \degree of fuzziness" we have an indicator for the strength of the rebinding e� ect, such that the minimal rebinding e� ect can be derived from an optimization problem. The fuzziness also includes some new paradigms for molecular kinetics. These new model paradigms show good agreement with experimental data. KW - Recrossing KW - Rebinding Y1 - 2015 UR - https://opus4.kobv.de/opus4-matheon/frontdoor/index/index/docId/1303 UR - https://nbn-resolving.org/urn:nbn:de:0296-matheon-13037 ER -