Concepedia

The binding mechanism of urea, hydroxamic acid and N-(N-butyl)-phosphoric triamide to the urease active site. A comparative molecular dynamics study

B. Manunza, S. Deiana, Marco Pintore, C. Gessa

Soil Biology and Biochemistry · 1999 · 137 citations · 27 references

DOI

Concepts

References

27

General atomic and molecular electronic structure system

Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.2K citations

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A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

Wendy D. Cornell, Piotr Cieplak, Christopher I. Bayly et al. · Journal of the American Chemical Society · 1995 · 13.1K citations

, , +17

UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

Anthony K. Rappé, C. J. Casewit, K. S. Colwell et al. · Journal of the American Chemical Society · 1992 · 10.4K citations

, , +14

Theoretical models incorporating electron correlation

John A. Pople, J. Stephen Binkley, Rolf Seeger · International Journal of Quantum Chemistry · 2009 · 1.6K citations

, , +17

The crystal structure of urease from Klebsiella aerogenes

Evelyn Jabri, Mark D. Carr, Robert P. Hausinger et al. · Science · 1995 · 833 citations

, , +17