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.
Ausiello, G., Cesareni, G., & Helmer-Citterich, M. (1997). ESCHER: a new docking procedure applied to the reconstruction of protein tertiary structure. PROTEINS, 28(4), 556-567.
Tipologia: | Articolo su rivista |
Citazione: | Ausiello, G., Cesareni, G., & Helmer-Citterich, M. (1997). ESCHER: a new docking procedure applied to the reconstruction of protein tertiary structure. PROTEINS, 28(4), 556-567. |
URL: | http://www.deepdyve.com/lp/wiley/escher-a-new-docking-procedure-applied-to-the-reconstruction-of-8IzKY80y30 |
Lingua: | English |
Settore Scientifico Disciplinare: | Settore BIO/11 |
Revisione (peer review): | Sì, ma tipo non specificato |
Tipo: | Articolo |
Rilevanza: | Rilevanza internazionale |
Stato di pubblicazione: | Pubblicato |
Data di pubblicazione: | ago-1997 |
Titolo: | ESCHER: a new docking procedure applied to the reconstruction of protein tertiary structure |
Autori: | |
Autori: | Ausiello, G; Cesareni, G; Helmer-Citterich, M |
Appare nelle tipologie: | 01 - Articolo su rivista |
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