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Development of biologically active compounds by combining 3D QSAR and structure-based design methods.. Journal of Computer-Aided Molecular Design, 16 (11): 825-830 (2002)Generation of a homology model of the human histamine H3 receptor for ligand docking and pharmacophore-based screening., , , , , , , , and . Journal of Computer-Aided Molecular Design, 21 (8): 437-453 (2007)ParaDockS: A Framework for Molecular Docking with Population-Based Metaheuristics., , , , and . Journal of Chemical Information and Modeling, 50 (5): 879-889 (2010)Postprocessing of Protein-Ligand Docking Poses Using Linear Response MM-PB/SA: Application to Wee1 Kinase Inhibitors., , , , and . Journal of Chemical Information and Modeling, 50 (9): 1574-1588 (2010)Molecular Modeling of Potential Anticancer Agents from African Medicinal Plants., , , , , , , , and . Journal of Chemical Information and Modeling, 54 (9): 2433-2450 (2014)Application of Docking and QM/MM-GBSA Rescoring to Screen for Novel Myt1 Kinase Inhibitors., , , , , , and . Journal of Chemical Information and Modeling, 54 (3): 881-893 (2014)Structure-based 3D QSAR and design of novel acetylcholinesterase inhibitors., , , , and . Journal of Computer-Aided Molecular Design, 15 (5): 395-410 (2001)Virtual Screening of PRK1 Inhibitors: Ensemble Docking, Rescoring Using Binding Free Energy Calculation and QSAR Model Development., , , , , , , and . Journal of Chemical Information and Modeling, 54 (1): 138-150 (2014)Docking and virtual screening of novel inhibitors for mono-ADP-ribosylating toxins., , , , and . J. Cheminformatics, 3 (S-1): 38 (2011)ParaDockS - an open source framework for molecular docking., , , and . J. Cheminformatics, 4 (S-1): 3 (2012)