ESCHER: A new docking procedure applied to the reconstruction of protein tertiary structure

G. Ausiello, G. Cesareni, M. Helmer-Citterich

Research output: Contribution to journalArticlepeer-review


Evaluation of Surface Complementarity, Hydrogen bonding, and Electrostatic interaction in molecular Recognition (ESCHER) is a new docking procedure consisting of three modules that work in series. The first module evaluates the geometric complementarity and produces a set of rough solutions for the docking problem. The second module identifies molecular collisions within those solutions, and the third evaluates their electrostatic complementarity. We describe the algorithm and its application to the docking of cocrystallized protein domains and unbound components of protein-protein complexes. Furthermore, ESCHER has been applied to the reassociation of secondary and supersecondary structure elements. The possibility of applying a docking method to the problem of protein structure prediction is discussed.

Original languageEnglish
Pages (from-to)556-567
Number of pages12
JournalProteins: Structure, Function and Genetics
Issue number4
Publication statusPublished - 1997


  • Automated docking
  • Molecular recognition
  • Protein domains
  • Secondary structure elements

ASJC Scopus subject areas

  • Genetics
  • Structural Biology
  • Biochemistry


Dive into the research topics of 'ESCHER: A new docking procedure applied to the reconstruction of protein tertiary structure'. Together they form a unique fingerprint.

Cite this