Simulation of enzyme-substrate interactions: the diffusional encounter step

• Autorzy: Wade R. C.
• Języki publikacji: EN

Abstrakty

EN

Enzymes are targets for structure-based redesign and drug design. One potentially important design strategy is to create molecules — enzymes and ligands — with desired diffusional encounter properties. Rates of diffusive bimolecular encounter can be calculated by Brownian dynamics simulation. This methodology and its appli­cation to study the factors influencing the rates of diffusion-influenced enzymes are described here.

Słowa kluczowe

EN

Brownian dynamics method; hydrodynamic interaction; electrostatic steering; enzyme substrate interaction; diffusion control

• Wydawca: -
• Czasopismo: Acta Biochimica Polonica
• Rocznik: 1995
• Tom: 42
• Numer: 4
• Opis fizyczny: p.419-425,fig.

Twórcy

autor

Wade R. C.

• European Molecular Biology Laboratory, Meyerhofstr.1, 69012 Heidelberg, Germany

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