• Corpus ID: 236034325

New algorithm to determine a minimal representation of the molecular surface

  title={New algorithm to determine a minimal representation of the molecular surface},
  author={Greta Grassmann and Mattia Miotto and Lorenzo Di Rienzo and Giorgio Gosti and Giancarlo Ruocco and Edoardo Milanetti},
Most proteins perform their biological function by interacting with one or more molecular partners. In this respect, characterizing the features of the molecular surface, especially in the portions where the interaction takes place, turned out to be a crucial step in the investigation of the mechanisms of recognition and binding between molecules. Predictive methods often rely on extensive samplings of molecular patches with the aim to identify hot spots on the surface. In this framework… 

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