Sarah E. Boyce, Ph.D.
Affiliations: | 2009 | Chemistry and Chemical Biology | University of California, San Francisco, San Francisco, CA |
Area:
GPCR, computational chemistryGoogle:
"Sarah Boyce"Mean distance: 9.91 | S | N | B | C | P |
Parents
Sign in to add mentor| Brian K. Shoichet | grad student | 2009 | UCSF | |
| (Model systems for molecular docking: Understanding molecular recognition in polar and charged binding sites.) | ||||
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Publications
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| Hanson SM, Rodriguez L, Behr JM, et al. (2016) Dissecting the Contribution of Kinase Conformational Reorganization Energies to Inhibitor Selectivity Biophysical Journal. 110: 545a |
| Boyce SE, Tirunagari N, Niedziela-Majka A, et al. (2014) Structural and regulatory elements of HCV NS5B polymerase--β-loop and C-terminal tail--are required for activity of allosteric thumb site II inhibitors. Plos One. 9: e84808 |
| Rocklin GJ, Boyce SE, Fischer M, et al. (2013) Blind prediction of charged ligand binding affinities in a model binding site. Journal of Molecular Biology. 425: 4569-83 |
| Barelier S, Boyce SE, Fish I, et al. (2013) Roles for ordered and bulk solvent in ligand recognition and docking in two related cavities. Plos One. 8: e69153 |
| Boyce SE, Mobley DL, Rocklin GJ, et al. (2009) Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. Journal of Molecular Biology. 394: 747-63 |
| Graves AP, Shivakumar DM, Boyce SE, et al. (2008) Rescoring docking hit lists for model cavity sites: predictions and experimental testing. Journal of Molecular Biology. 377: 914-34 |
| Brenk R, Vetter SW, Boyce SE, et al. (2006) Probing molecular docking in a charged model binding site. Journal of Molecular Biology. 357: 1449-70 |