Computational Fragment-Based Binding Site Identification by Ligand Competitive Saturation

Open Access

Peer-reviewed

Research Article

Olgun Guvench,

Affiliation Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland Baltimore, Baltimore, Maryland, United States of America
⨯
Alexander D. MacKerell Jr

* E-mail: alex@outerbanks.umaryland.edu

Affiliation Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland Baltimore, Baltimore, Maryland, United States of America
⨯

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Hydrogen bonding
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Biochemical simulations
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Molecular dynamics
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Benzene
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Small molecules
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Protein interactions
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Carbon
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Drug discovery
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