Computational Prediction of Alanine Scanning and Ligand Binding Energetics in G-Protein Coupled Receptors

Open Access

Peer-reviewed

Research Article

Lars Boukharta,

Affiliation Department of Cell and Molecular Biology, Uppsala University, Biomedical Center, Uppsala, Sweden
⨯
Hugo Gutiérrez-de-Terán,

Affiliation Department of Cell and Molecular Biology, Uppsala University, Biomedical Center, Uppsala, Sweden
⨯
Johan Åqvist

* E-mail: aqvist@xray.bmc.uu.se

Affiliation Department of Cell and Molecular Biology, Uppsala University, Biomedical Center, Uppsala, Sweden
⨯

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Free energy
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Biochemical simulations
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G protein coupled receptors
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Alanine
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Alanine scanning
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Electrostatics
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Radii
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Mutagenesis
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