- Publication
- Feb 28, 2024
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- Jul 3, 2023
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- Feb 16, 2023
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- May 2, 2022
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- May 2, 2022
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- Mar 16, 2020
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Del Angel, et al. Hum Mutat., 2020, DOI: 10.1002/humu.24010- Publication
- Feb 28, 2020
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Sankar, et al. Proteins, 2018, 86(11), 1147-1156- Publication
- Apr 25, 2019
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Negron, et al. PLoS ONE, 2019, 14(3), e0214015- Publication
- Feb 19, 2019
Relative Binding Affinity Prediction of Charge-Changing Sequence Mutations with FEP in Protein-Protein Interfaces
Clark, et al. Journal of Molecular Biology, 2019- Publication
- Dec 17, 2015
Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1
Chrencik, et al. Cell, 2015, 161(7), 1633-1643- Publication
- Sep 8, 2015
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Guo, et al. Chem. Biol. Drug Des., 2010, 75, 348-359- Publication
- Sep 8, 2015
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