| QSAR modeling of imbalanced high-throughput screening data in PubChem AV Zakharov, ML Peach, M Sitzmann, MC Nicklaus Journal of chemical information and modeling 54 (3), 705-712, 2014 | 112 | 2014 |
| Wealth of opportunity-the C1 domain as a target for drug development PM Blumberg, N Kedei, NE Lewin, D Yang, G Czifra, Y Pu, ML Peach, ... Current drug targets 9 (8), 641-652, 2008 | 100 | 2008 |
| Isolation, structural elucidation, and absolute stereochemistry of enigmazole A, a cytotoxic phosphomacrolide from the Papua New Guinea marine sponge Cinachyrella enigmatica N Oku, K Takada, RW Fuller, JA Wilson, ML Peach, LK Pannell, ... Journal of the American Chemical Society 132 (30), 10278-10285, 2010 | 97 | 2010 |
| Directed discovery of agents targeting the Met tyrosine kinase domain by virtual screening ML Peach, N Tan, SJ Choyke, A Giubellino, G Athauda, TR Burke Jr, ... Journal of medicinal chemistry 52 (4), 943-951, 2009 | 77 | 2009 |
| PDB ligand conformational energies calculated quantum-mechanically M Sitzmann, IE Weidlich, IV Filippov, C Liao, ML Peach, WD Ihlenfeldt, ... Journal of chemical information and modeling 52 (3), 739-756, 2012 | 69 | 2012 |
| Effects on ligand interaction and membrane translocation of the positively charged arginine residues situated along the C1 domain binding cleft in the atypical protein kinase C … Y Pu, ML Peach, SH Garfield, S Wincovitch, VE Marquez, PM Blumberg Journal of biological chemistry 281 (44), 33773-33788, 2006 | 67 | 2006 |
| Computational tools and resources for metabolism-related property predictions. 1. Overview of publicly available (free and commercial) databases and software ML Peach, AV Zakharov, R Liu, A Pugliese, G Tawa, A Wallqvist, ... Future medicinal chemistry 4 (15), 1907-1932, 2012 | 66 | 2012 |
| Combining docking with pharmacophore filtering for improved virtual screening ML Peach, MC Nicklaus Journal of cheminformatics 1, 6, 2009 | 65 | 2009 |
| Discovery of a novel nonphosphorylated pentapeptide motif displaying high affinity for Grb2-SH2 domain by the utilization of 3 ‘-substituted tyrosine derivatives YL Song, ML Peach, PP Roller, S Qiu, S Wang, YQ Long Journal of medicinal chemistry 49 (5), 1585-1596, 2006 | 64 | 2006 |
| Molecular modeling, total synthesis, and biological evaluations of C9‐deoxy bryostatin 1 GE Keck, YB Poudel, A Rudra, JC Stephens, N Kedei, NE Lewin, ... Angewandte Chemie International Edition 49 (27), 4580-4584, 2010 | 63 | 2010 |
| A new approach to radial basis function approximation and its application to QSAR AV Zakharov, ML Peach, M Sitzmann, MC Nicklaus Journal of Chemical Information and Modeling 54 (3), 713-719, 2014 | 57 | 2014 |
| SAVI, in silico generation of billions of easily synthesizable compounds through expert-system type rules H Patel, WD Ihlenfeldt, PN Judson, YS Moroz, Y Pevzner, ML Peach, ... Scientific data 7 (1), 384, 2020 | 49 | 2020 |
| Conformationally constrained analogues of diacylglycerol. 29. Cells sort diacylglycerol-lactone chemical zip codes to produce diverse and selective biological activities D Duan, DM Sigano, JA Kelley, CC Lai, NE Lewin, N Kedei, ML Peach, ... Journal of medicinal chemistry 51 (17), 5198-5220, 2008 | 45 | 2008 |
| Tautomerism of warfarin: combined chemoinformatics, quantum chemical, and NMR investigation L Guasch, ML Peach, MC Nicklaus The Journal of organic chemistry 80 (20), 9900-9909, 2015 | 43 | 2015 |
| Experimental and chemoinformatics study of tautomerism in a database of commercially available screening samples L Guasch, W Yapamudiyansel, ML Peach, JA Kelley, JJ Barchi Jr, ... Journal of Chemical Information and Modeling 56 (11), 2149-2161, 2016 | 41 | 2016 |
| Synthesis of seco-B-Ring Bryostatin Analogue WN-1 via C–C Bond-Forming Hydrogenation: Critical Contribution of the B-Ring in Determining Bryostatin-like and … IP Andrews, JM Ketcham, PM Blumberg, N Kedei, NE Lewin, ML Peach, ... Journal of the American Chemical Society 136 (38), 13209-13216, 2014 | 38 | 2014 |
| Differential binding modes of diacylglycerol (DAG) and DAG lactones to protein kinase C (PK-C) DM Sigano, ML Peach, K Nacro, Y Choi, NE Lewin, MC Nicklaus, ... Journal of medicinal chemistry 46 (9), 1571-1579, 2003 | 36 | 2003 |
| Modeling the transmembrane domain of bacterial chemoreceptors ML Peach, GL Hazelbauer, TP Lybrand Protein science 11 (4), 912-923, 2002 | 36 | 2002 |
| Computational tools and resources for metabolism-related property predictions. 2. Application to prediction of half-life time in human liver microsomes AV Zakharov, ML Peach, M Sitzmann, IV Filippov, HJ McCartney, ... Future medicinal chemistry 4 (15), 1933-1944, 2012 | 34 | 2012 |
| Synthesis of a des-B-Ring Bryostatin Analogue Leads to an Unexpected Ring Expansion of the Bryolactone Core MB Kraft, YB Poudel, N Kedei, NE Lewin, ML Peach, PM Blumberg, ... Journal of the American Chemical Society 136 (38), 13202-13208, 2014 | 32 | 2014 |
