Year |
Citation |
Score |
2016 |
Hanson SM, Rodriguez L, Behr JM, Rizzi A, Parton DL, Beauchamp KA, Fass JH, Prinz J, Boyce SE, Seeliger MA, Levinson NM, Chodera JD. Dissecting the Contribution of Kinase Conformational Reorganization Energies to Inhibitor Selectivity Biophysical Journal. 110: 545a. DOI: 10.1016/J.Bpj.2015.11.2918 |
0.343 |
|
2014 |
Boyce SE, Tirunagari N, Niedziela-Majka A, Perry J, Wong M, Kan E, Lagpacan L, Barauskas O, Hung M, Fenaux M, Appleby T, Watkins WJ, Schmitz U, Sakowicz R. 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. PMID 24416288 DOI: 10.1371/Journal.Pone.0084808 |
0.42 |
|
2013 |
Rocklin GJ, Boyce SE, Fischer M, Fish I, Mobley DL, Shoichet BK, Dill KA. Blind prediction of charged ligand binding affinities in a model binding site. Journal of Molecular Biology. 425: 4569-83. PMID 23896298 DOI: 10.1016/J.Jmb.2013.07.030 |
0.718 |
|
2013 |
Barelier S, Boyce SE, Fish I, Fischer M, Goodin DB, Shoichet BK. Roles for ordered and bulk solvent in ligand recognition and docking in two related cavities. Plos One. 8: e69153. PMID 23874896 DOI: 10.1371/Journal.Pone.0069153 |
0.69 |
|
2009 |
Boyce SE, Mobley DL, Rocklin GJ, Graves AP, Dill KA, Shoichet BK. Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. Journal of Molecular Biology. 394: 747-63. PMID 19782087 DOI: 10.1016/J.Jmb.2009.09.049 |
0.656 |
|
2008 |
Graves AP, Shivakumar DM, Boyce SE, Jacobson MP, Case DA, Shoichet BK. Rescoring docking hit lists for model cavity sites: predictions and experimental testing. Journal of Molecular Biology. 377: 914-34. PMID 18280498 DOI: 10.1016/J.Jmb.2008.01.049 |
0.765 |
|
2006 |
Brenk R, Vetter SW, Boyce SE, Goodin DB, Shoichet BK. Probing molecular docking in a charged model binding site. Journal of Molecular Biology. 357: 1449-70. PMID 16490206 DOI: 10.1016/J.Jmb.2006.01.034 |
0.81 |
|
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