Comparative binding energy analysis of haloalkane dehalogenase substrates: modelling of enzyme-substrate complexes by molecular docking and quantum mechanical calculations - Kmuníček, Jan; Boháč, M; Luengo, S; Gago, F; Wade, R. C; Damborský, Jiří (Journal of computer-aided molecular design, 2003)
Keywords: Hydrolases; Computer Simulation; Quantitative Structure-Activity Relationship; hydrolasy; kvantitativní vztahy mezi strukturou a aktivitou; finanční podpora výzkumu jako téma; halogenované uhlovodíky; Research Support as Topic; databáze proteinů; počítačová simulace; Hydrocarbons, Halogenated; vazebná místa; Databases, Protein; Binding Sites