| Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 1. Generalized Born AW Götz, MJ Williamson, D Xu, D Poole, S Le Grand, RC Walker Journal of Chemical Theory and Computation 8 (5), 1542, 2012 | 2063 | 2012 |
| Ensemble-based virtual screening reveals potential novel antiviral compounds for avian influenza neuraminidase LS Cheng, RE Amaro, D Xu, WW Li, PW Arzberger, JA McCammon Journal of medicinal chemistry 51 (13), 3878-3894, 2008 | 246 | 2008 |
| Characterizing loop dynamics and ligand recognition in human-and avian-type influenza neuraminidases via generalized born molecular dynamics and end-point free energy calculations RE Amaro, X Cheng, I Ivanov, D Xu, JA McCammon Journal of the American Chemical Society 131 (13), 4702-4709, 2009 | 153 | 2009 |
| Alkylation of phenol with tert-butyl alcohol catalyzed by large pore zeolites K Zhang, H Zhang, G Xu, S Xiang, D Xu, S Liu, H Li Applied Catalysis A: General 207 (1-2), 183-190, 2001 | 127 | 2001 |
| Alkylation of phenol with tert-butyl alcohol catalysed by zeolite H [beta] K Zhang, C Huang, H Zhang, S Xiang, S Liu, D Xu, H Li Applied Catalysis A: General 166 (1), 89-95, 1998 | 110 | 1998 |
| Distinct Glycan Topology for Avian and Human Sialo-Pentasaccharide Receptor Analogues upon Binding Different Hemagglutinins: A Molecular Dynamics Perspective D Xu, EI Newhouse, RE Amaro, HC Pao, LS Cheng, PRL Markwick, ... Journal of molecular biology 387 (2), 465, 2009 | 101 | 2009 |
| ezCADD: A rapid 2D/3D visualization-enabled web modeling environment for democratizing computer-aided drug design A Tao, Y Huang, Y Shinohara, ML Caylor, S Pashikanti, D Xu Journal of Chemical Information and Modeling 59 (1), 18-24, 2018 | 83 | 2018 |
| Mechanism of glycan receptor recognition and specificity switch for avian, swine, and human adapted influenza virus hemagglutinins: a molecular dynamics perspective EI Newhouse, D Xu, PRL Markwick, RE Amaro, HC Pao, KJ Wu, M Alam, ... Journal of the American Chemical Society 131 (47), 17430-17442, 2009 | 53 | 2009 |
| Statistical cluster analysis of pharmaceutical solvents D Xu, N Redman-Furey International journal of pharmaceutics 339 (1), 175-188, 2007 | 51 | 2007 |
| Advancements in Molecular Dynamics Simulations of Biomolecules on Graphical Processing Units D Xu, MJ Williamson, RC Walker Annual Reports in Computational Chemistry 6, 1, 2010 | 38 | 2010 |
| Molecular insights into the improved clinical performance of PEGylated interferon therapeutics: a molecular dynamics perspective D Xu, N Smolin, RK Shaw, SR Battey, A Tao, Y Huang, SE Rahman, ... RSC advances 8 (5), 2315-2322, 2018 | 31 | 2018 |
| Implications of off‐target serotoninergic drug activity: an analysis of serotonin syndrome reports using a systematic bioinformatics approach VL Culbertson, SE Rahman, GC Bosen, ML Caylor, MM Echevarria, D Xu Pharmacotherapy: The Journal of Human Pharmacology and Drug Therapy 38 (9 …, 2018 | 28 | 2018 |
| Inhibition of Snowshoe Hare Succinate Dehydrogenase Activity as a Mechanism of Deterrence for Papyriferic Acid in Birch JS Forbey, X Pu, D Xu, K Kielland, J Bryant Journal of chemical ecology, 1-9, 2011 | 23 | 2011 |
| Assessing and predicting drug-induced anticholinergic risks: an integrated computational approach D Xu, HD Anderson, A Tao, KL Hannah, SA Linnebur, RJ Valuck, ... Therapeutic advances in drug safety 8 (11), 361-370, 2017 | 22 | 2017 |
| Ab initio study of the torsional motion in tolane D Xu, AL Cooksy Journal of Molecular Structure: THEOCHEM 815 (1-3), 119-125, 2007 | 19 | 2007 |
| Characterization of 5′-methylthioadenosine/S-adenosylhomocysteine nucleosidases from Borrelia burgdorferi: Antibiotic targets for Lyme disease KA Cornell, RJ Knippel, GR Cortright, M Fonken, C Guerrero, AR Hall, ... Biochimica et Biophysica Acta (BBA)-General Subjects 1864 (1), 129455, 2020 | 12 | 2020 |
| MSBIS: a multi-step biomedical informatics screening approach for identifying medications that mitigate the risks of metoclopramide-induced Tardive dyskinesia D Xu, AG Ham, RD Tivis, ML Caylor, A Tao, ST Flynn, PJ Economen, ... EBioMedicine 26, 132-137, 2017 | 12 | 2017 |
| Solving the vibrational Schrödinger equation on an arbitrary multidimensional potential energy surface by the finite element method D Xu, J Stare, AL Cooksy Computer Physics Communications 180 (11), 2079-2094, 2009 | 11 | 2009 |
| Oncostatin M (OSM) antagonists for preventing cancer metastasis and IL-6 related disorders C Jorcyk, D Xu US Patent 9,550,828, 2017 | 7 | 2017 |
| Experimental identification and computational characterization of a novel extracellular metalloproteinase produced by Clostridium sordellii MJ Aldape, A Tao, DD Heeney, ER McIndoo, JM French, D Xu RSC advances 7 (23), 13928-13938, 2017 | 5 | 2017 |
