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Docking-Based Virtual Screening of Covalently Binding Ligands: An Orthogonal Lead Discovery Approach | Journal of Medicinal Chemistry
Virtual Screening of 4-Anilinoquinazoline Analogues as EGFR Kinase Inhibitors: Importance of Hydrogen Bonds in the Evaluation of Poses and Scoring Functions | Journal of Chemical Information and Modeling
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Predicting Regioselectivity of AO, CYP, FMO, and UGT Metabolism Using Quantum Mechanical Simulations and Machine Learning | Journal of Medicinal Chemistry
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