D
Dong Xu
Researcher at Idaho State University
Publications - 26
Citations - 2329
Dong Xu is an academic researcher from Idaho State University. The author has contributed to research in topics: Internal medicine & Glycan. The author has an hindex of 14, co-authored 23 publications receiving 1890 citations. Previous affiliations of Dong Xu include University of California, San Diego & Boise State University.
Papers
More filters
Journal ArticleDOI
Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 1. Generalized Born
TL;DR: An implementation of generalized Born implicit solvent all-atom classical molecular dynamics within the AMBER program package that runs entirely on CUDA enabled NVIDIA graphics processing units (GPUs) and shows performance that is on par with, and in some cases exceeds, that of traditional supercomputers.
Journal ArticleDOI
Characterizing Loop Dynamics and Ligand Recognition in Human- and Avian-Type Influenza Neuraminidases via Generalized Born Molecular Dynamics and End-Point Free Energy Calculations
TL;DR: Seven generalized Born molecular dynamics simulations of avian and human NAs in order to probe the comparative flexibility of the two subtypes, both with and without the inhibitor oseltamivir bound suggest that entropic considerations cannot be neglected when comparing across the subtypes.
Journal ArticleDOI
Alkylation of phenol with tert-butyl alcohol catalysed by zeolite Hβ
TL;DR: In this paper, the catalytic properties of zeolite beta in the tert-butylation of phenol are reported, and the influence of various reaction parameters such as temperature, space velocity, molar ratio of the reactants are discussed.
Journal ArticleDOI
Alkylation of phenol with tert-butyl alcohol catalyzed by large pore zeolites
TL;DR: In this paper, the tertbutylation of phenol was investigated over various zeolite catalysts using tert-butyl alcohol as alkylating agent in a down-flow tubular reactor at atmospheric pressure.
Journal ArticleDOI
Distinct glycan topology for avian and human sialopentasaccharide receptor analogues upon binding different hemagglutinins: a molecular dynamics perspective.
Dong Xu,E. Irene Newhouse,Rommie E. Amaro,Hsing C. Pao,Lily S. Cheng,Phineus R. L. Markwick,J. Andrew McCammon,Wilfred W. Li,Peter Arzberger +8 more
TL;DR: The relative binding free-energy changes, calculated using the molecular mechanics-generalized Born surface area technique, were in agreement with previous experimental findings and provided insights on electrostatic, van der Waals, desolvation, and entropic contributions to HA-glycan interactions.