MVsim : a toolset for quantifying and designing multivalent interactions.

ABSTRACT: Arising through multiple binding elements, multivalency can specify the avidity, duration, cooperativity, and selectivity of biomolecular interactions, but quantitative prediction and design of these properties has remained challenging. Here we present MVsim , an application suite built around a configurational network model of multivalency to facilitate the quantification, design, and mechanistic evaluation of multivalent binding phenomena through a simple graphical user interface. To demonstrate the utility and versatility of MVsim , we first show that both monospecific and multispecific multivalent ligand-receptor interactions, with their noncanonical binding kinetics, can be accurately simulated. We then quantitatively predict the ultrasensitivity and performance of multi

SUBMITTER: Bruncsics B 

PROVIDER: S-EPMC8351779 | biostudies-literature | 2021 Aug

REPOSITORIES: biostudies-literature