Concepedia

Flexibility of human cytochrome P450 enzymes: Molecular dynamics and spectroscopy reveal important function-related variations

Tereza Hendrychova, Eva Anzenbacherová, Josef Skopalík, Reinhard Lange, Peter Hildebrandt, Michal Otyepka, Pavel Anzenbacher

Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics · 2010 · 71 citations · 39 references

DOI

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References

39

The Amber biomolecular simulation programs

David A. Case, Thomas E. Cheatham, Tom Darden et al. · Journal of Computational Chemistry · 2005 · 9.6K citations · Full text

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How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?

Junmei Wang, Piotr Cieplak, Peter A. Kollman · Journal of Computational Chemistry · 2000 · 4K citations

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Application of RESP charges to calculate conformational energies, hydrogen bond energies, and free energies of solvation

Wendy D. Cornell, Piotr Cieplak, Christopher I. Bayly et al. · Journal of the American Chemical Society · 1993 · 1.4K citations

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Crystal structure of human cytochrome P450 2C9 with bound warfarin

Pamela A. Williams, José Cosme, Alison Ward et al. · Nature · 2003 · 817 citations

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Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone

Pamela A. Williams, José Cosme, Dijana Matak‐Vinković et al. · Science · 2004 · 806 citations

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