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Shifa Biomedical (United States)

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Publications

25

Citations

1.3K

Location

Malvern, United States

Shifa Biomedical (United States) is a company institution in Malvern, United States known for ligand binding, drug discovery, and pharmacology.

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Publications

25

Mechanism of Androgen Receptor Antagonism by Bicalutamide in the Treatment of Prostate Cancer

David J. Osguthorpe, A. T. Hagler · Biochemistry · 2011 · 96 citations · Full text

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Exploring Protein Flexibility: Incorporating Structural Ensembles From Crystal Structures and Simulation into Virtual Screening Protocols

David J. Osguthorpe, Woody Sherman, A. T. Hagler · The Journal of Physical Chemistry B · 2012 · 77 citations · Full text

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Generation of Receptor Structural Ensembles for Virtual Screening Using Binding Site Shape Analysis and Clustering

David J. Osguthorpe, Woody Sherman, A. T. Hagler · Chemical Biology & Drug Design · 2012 · 74 citations · Full text

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Discovery of New Selective Human Aldose Reductase Inhibitors through Virtual Screening Multiple Binding Pocket Conformations

Ling Wang, Qiong Gu, Xuehua Zheng et al. · Journal of Chemical Information and Modeling · 2013 · 71 citations

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Quantum Derivative Fitting and Biomolecular Force Fields: Functional Form, Coupling Terms, Charge Flux, Nonbond Anharmonicity, and Individual Dihedral Potentials

A. T. Hagler · Journal of Chemical Theory and Computation · 2015 · 36 citations

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