David A. Cosgrove
SKA Observatory(GB)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Analytical Chemistry and Chromatography, Chemical Synthesis and Analysis, Protein Structure and Dynamics, Chemistry and Chemical Engineering
Most-Cited Works
- → Matched Molecular Pairs as a Guide in the Optimization of Pharmaceutical Properties; a Study of Aqueous Solubility, Plasma Protein Binding and Oral Exposure(2006)282 cited
- → Identification of Compounds with Nanomolar Binding Affinity for Checkpoint Kinase-1 Using Knowledge-Based Virtual Screening(2004)112 cited
- → Scaffold Hopping Using Clique Detection Applied to Reduced Graphs(2006)87 cited
- → Design of compound libraries for fragment screening(2009)79 cited
- → Lead Hopping Using SVM and 3D Pharmacophore Fingerprints(2005)56 cited
- → Representing Clusters Using a Maximum Common Edge Substructure Algorithm Applied to Reduced Graphs and Molecular Graphs(2007)44 cited
- → A novel method of aligning molecules by local surface shape similarity(2000)42 cited
- → An Extensive and Diverse Set of Molecular Overlays for the Validation of Pharmacophore Programs(2013)25 cited
- → BOOMSLANG: A program for combinatorial structure generation(1996)23 cited
- → Multiobjective Optimization of Pharmacophore Hypotheses: Bias Toward Low-Energy Conformations(2009)20 cited