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Dong Xu
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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
18822012
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
2432008
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
1502009
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
1262001
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
1101998
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
982009
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
692018
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
512009
Statistical cluster analysis of pharmaceutical solvents
D Xu, N Redman-Furey
International journal of pharmaceutics 339 (1), 175-188, 2007
502007
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
432010
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
272018
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
272018
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
222011
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
212017
Ab initio study of the torsional motion in tolane
D Xu, AL Cooksy
Journal of Molecular Structure: THEOCHEM 815 (1-3), 119-125, 2007
192007
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
122009
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
112017
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
82020
Oncostatin M (OSM) antagonists for preventing cancer metastasis and IL-6 related disorders
C Jorcyk, D Xu
US Patent 9,550,828, 2017
52017
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
42017
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