Raed S. Khashan, Ph.D.
Affiliations: | 2007 | Pharmaceutical Sciences | University of North Carolina, Chapel Hill, Chapel Hill, NC |
Area:
Pharmacology, Bioinformatics BiologyGoogle:
"Raed Khashan"Parents
Sign in to add mentor| Alexander Tropsha | grad student | 2007 | UNC Chapel Hill | |
| (Development and application of ligand-based and structure-based computational drug discovery tools based on frequent subgraph mining of chemical structures.) | ||||
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Publications
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| Khashan R, Tropsha A, Zheng W. (2022) Data Mining Meets Machine Learning: A Novel ANN-based Multi-body Interaction Docking Scoring Function (MBI-score) based on Utilizing Frequent Geometric and Chemical Patterns of Interfacial Atoms in Native Protein-ligand Complexes. Molecular Informatics. e2100248 |
| Khashan RS. (2015) Generating "fragment-based virtual library" using pocket similarity search of ligand-receptor complexes. Methods in Molecular Biology (Clifton, N.J.). 1289: 23-9 |
| Khashan R, Zheng W, Tropsha A. (2014) The Development of Novel Chemical Fragment-Based Descriptors Using Frequent Common Subgraph Mining Approach and Their Application in QSAR Modeling. Molecular Informatics. 33: 201-15 |
| Khashan R, Zheng W, Tropsha A. (2014) The development of novel chemical fragment-based descriptors using frequent common subgraph mining approach and their application in QSAR modeling Molecular Informatics. 33: 201-215 |
| Khashan R. (2012) FragVLib a free database mining software for generating "Fragment-based Virtual Library" using pocket similarity search of ligand-receptor complexes Journal of Cheminformatics. 4: 18-18 |
| Khashan R, Zheng W, Tropsha A. (2012) Scoring protein interaction decoys using exposed residues (SPIDER): a novel multibody interaction scoring function based on frequent geometric patterns of interfacial residues. Proteins. 80: 2207-17 |
| Fleishman SJ, Whitehead TA, Strauch EM, et al. (2011) Community-wide assessment of protein-interface modeling suggests improvements to design methodology. Journal of Molecular Biology. 414: 289-302 |