MCMap

MCMap


MCMap is a tool particularly suited well for analyzing transient biomolecular complexes. The program applies a Monte Carlo strategy. The ligand is randomly moving in the electrostatic field of the receptor. By applying importance sampling, the major interaction sites are mapped.




Please cite this paper, if you are using MCMap:
  • Johannes M. Foerster, Ina Poehner, and G. Matthias Ullmann. MCMap - A Computational Tool for Mapping Energy Landscapes of Transient Protein‚ąíProtein Interactions ACS Omega, 3: in press, 2018
    DOI: 10.1021/acsomega.8b00572
    [PDF File]