Ensemble Generation and the Influence of Protein Flexibility on Geometric Tunnel Prediction in Cytochrome P450 Enzymes

Open Access

Peer-reviewed

Research Article

Laura J. Kingsley,

Affiliation Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, Purdue University, West Lafayette, Indiana, United States of America
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Markus A. Lill

* E-mail: mlill@purdue.edu

Affiliation Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, Purdue University, West Lafayette, Indiana, United States of America
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Crystal structure
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Protein structure
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Protein structure prediction
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Hydrogen bonding
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Enzyme structure
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Radii
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Protein structure comparison
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Biochemical simulations
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