Protein binding site analysis by means of structural interaction fingerprint patterns

Extra Precision Glide:  Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes

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Structural Interaction Fingerprint (SIFt):  A Novel Method for Analyzing Three-Dimensional Protein−Ligand Binding Interactions

Zhan Deng, Claudio Chuaqui, Juswinder Singh · Journal of Medicinal Chemistry · 2003 · 572 citations

Life Sciences, Bioinformatics, Medicinal Chemistry +17

Optimizing Fragment and Scaffold Docking by Use of Molecular Interaction Fingerprints

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Pharmacy, Bioinformatics, Medicinal Chemistry +17

Identification of <i>N</i>-(4-Piperidinyl)-4-(2,6-dichlorobenzoylamino)-1<i>H</i>-pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design

Paul G. Wyatt, Andrew Woodhead, Valério Berdini et al. · Journal of Medicinal Chemistry · 2008 · 341 citations · Full text

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Structure-based Drug Discovery Using GPCR Homology Modeling:  Successful Virtual Screening for Antagonists of the Alpha1A Adrenergic Receptor

Andreas Evers, Thomas Klabunde · Journal of Medicinal Chemistry · 2005 · 232 citations · Full text

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