| Lessons learned in empirical scoring with smina from the CSAR 2011 benchmarking exercise DR Koes, MP Baumgartner, CJ Camacho Journal of chemical information and modeling 53 (8), 1893-1904, 2013 | 884 | 2013 |
| Discovery of a novel activator of 5-lipoxygenase from an anacardic acid derived compound collection R Wisastra, PAM Kok, N Eleftheriadis, MP Baumgartner, CJ Camacho, ... Bioorganic & medicinal chemistry 21 (24), 7763-7778, 2013 | 42 | 2013 |
| Peroxidase activation of cytoglobin by anionic phospholipids: Mechanisms and consequences J Tejero, AA Kapralov, MP Baumgartner, CE Sparacino-Watkins, ... Biochimica et Biophysica Acta (BBA)-Molecular and Cell Biology of Lipids …, 2016 | 38 | 2016 |
| Optimal strategies for virtual screening of induced-fit and flexible target in the 2015 D3R Grand Challenge Z Ye, MP Baumgartner, BM Wingert, CJ Camacho Journal of computer-aided molecular design 30, 695-706, 2016 | 27 | 2016 |
| Choosing the optimal rigid receptor for docking and scoring in the CSAR 2013/2014 experiment MP Baumgartner, CJ Camacho Journal of chemical information and modeling 56 (6), 1004-1012, 2016 | 26 | 2016 |
| Lessons learned in induced fit docking and metadynamics in the Drug Design Data Resource Grand Challenge 2 MP Baumgartner, DA Evans Journal of Computer-Aided Molecular Design 32 (1), 45-58, 2018 | 22 | 2018 |
| Fluorescence polarization screening assays for small molecule allosteric modulators of ABL kinase function P Grover, H Shi, M Baumgartner, CJ Camacho, TE Smithgall PLoS One 10 (7), e0133590, 2015 | 16 | 2015 |
| A Discovery Strategy for Selective Inhibitors of c‐Src in Complex with the Focal Adhesion Kinase SH3/SH2‐binding Region JA Moroco, MP Baumgartner, HL Rust, HG Choi, W Hur, NS Gray, ... Chemical biology & drug design 86 (2), 144-155, 2015 | 14 | 2015 |
| Creating a virtual assistant for medicinal chemistry LR Vidler, MP Baumgartner ACS Medicinal Chemistry Letters 10 (7), 1051-1055, 2019 | 13 | 2019 |
| Case series: pyramidal cataracts, intact irides and nystagmus from three novel PAX6 mutations BK Chauhan, A Medsinge, MP Baumgartner, HL Scanga, S Kamakari, ... American Journal of Ophthalmology Case Reports 10, 172-179, 2018 | 9 | 2018 |
| Amyloid binding and beyond: a new approach for Alzheimer's disease drug discovery targeting Aβo–PrP C binding and downstream pathways JD Grayson, MP Baumgartner, CDS Souza, SJ Dawes, IG El Idrissi, ... Chemical Science 12 (10), 3768-3785, 2021 | 6 | 2021 |
| Side chain virtual screening of matched molecular pairs: a PDB-wide and ChEMBL-wide analysis MP Baumgartner, DA Evans Journal of Computer-Aided Molecular Design 34 (9), 953-963, 2020 | 2 | 2020 |
| Building Admiral, an Automated Molecular Dynamics and Analysis Platform MP Baumgartner, H Zhang ACS Medicinal Chemistry Letters 11 (11), 2331-2335, 2020 | 1 | 2020 |
| Improving rational drug design by incorporating novel biophysical insight M Baumgartner University of Pittsburgh, 2016 | 1 | 2016 |
| Developing Kernel, a virtual assistant for medicinal chemistry discovery teams at Eli Lilly M Baumgartner, L Vidler ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| Benchmarking methods for virtual screening of match molecular pairs: A PDB-wide and ChEMBL-wide analysis M Baumgartner, D Evans ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017 | | 2017 |
| Abstract B132: Discovery of small molecule allosteric modulators of Abl kinase activity and function P Grover, H Shi, M Baumgartner, D Close, PA Johnston, CJ Camacho, ... Molecular Cancer Therapeutics 14 (12_Supplement_2), B132-B132, 2015 | | 2015 |
David KoesAssociate Professor, University of PittsburghVerified email at pitt.edu