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Deciphering common failures in molecular docking of ligand-protein complexes GM Verkhivker, D Bouzida, DK Gehlhaar, PA Rejto, S Arthurs, AB Colson, ... Journal of computer-aided molecular design 14, 731-751, 2000 | 304 | 2000 |
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Docking conformationally flexible small molecules into a protein binding site through evolutionary programming DK Gehlhaar, G Verkhivker, PA Rejto, DB Fogel, LJ Fogel, ST Freer | 129 | 1995 |
An integrated genomic approach to identify predictive biomarkers of response to the aurora kinase inhibitor PF-03814735 KE Hook, SJ Garza, ME Lira, KA Ching, NV Lee, J Cao, J Yuan, J Ye, ... Molecular cancer therapeutics 11 (3), 710-719, 2012 | 119 | 2012 |
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Simulating disorder–order transitions in molecular recognition of unstructured proteins: where folding meets binding GM Verkhivker, D Bouzida, DK Gehlhaar, PA Rejto, ST Freer, PW Rose Proceedings of the National Academy of Sciences 100 (9), 5148-5153, 2003 | 116 | 2003 |
Crystal structure of human ABAD/HSD10 with a bound inhibitor: implications for design of Alzheimer's disease therapeutics CR Kissinger, PA Rejto, LA Pelletier, JA Thomson, RE Showalter, ... Journal of molecular biology 342 (3), 943-952, 2004 | 115 | 2004 |
Chemotherapy induces dynamic immune responses in breast cancers that impact treatment outcome YH Park, S Lal, JE Lee, YL Choi, J Wen, S Ram, Y Ding, SH Lee, E Powell, ... Nature communications 11 (1), 6175, 2020 | 111 | 2020 |
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Unraveling principles of lead discovery: from unfrustrated energy landscapes to novel molecular anchors. PA Rejto, GM Verkhivker Proceedings of the National Academy of Sciences 93 (17), 8945-8950, 1996 | 97 | 1996 |
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