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Junchao Xia
Junchao Xia
Principal Scientific Developer, OpenEye, Cadence Molecular Sciences
Bestätigte E-Mail-Adresse bei eyesopen.com - Startseite
Titel
Zitiert von
Zitiert von
Jahr
The cooling rate dependence of crystallization for liquid copper: A molecular dynamics study
CS Liu, J Xia, ZG Zhu, DY Sun
The Journal of Chemical Physics 114 (17), 7506-7512, 2001
942001
How does water affect the dynamics of the room-temperature ionic liquid 1-hexyl-3-methylimidazolium hexafluorophosphate and the fluorescence spectroscopy of coumarin-153 when …
HVR Annapureddy, Z Hu, J Xia, CJ Margulis
The Journal of Physical Chemistry B 112 (6), 1770-1776, 2008
792008
Simulating replica exchange: Markov state models, proposal schemes, and the infinite swapping limit
BW Zhang, W Dai, E Gallicchio, P He, J Xia, Z Tan, RM Levy
The Journal of Physical Chemistry B 120 (33), 8289-8301, 2016
492016
Cooling rate dependence of structural properties of aluminium during rapid solidification
CS Liu, ZG Zhu, J Xia, DY Sun
Journal of Physics: Condensed Matter 13 (9), 1873, 2001
482001
Sucrose in aqueous solution revisited, Part 1: Molecular dynamics simulations and direct and indirect dipolar coupling analysis
J Xia, DA Case
Biopolymers 97 (5), 276-288, 2012
422012
Simulation of the Burridge-Knopoff model of earthquakes with variable range stress transfer
J Xia, H Gould, W Klein, JB Rundle
Physical review letters 95 (24), 248501, 2005
422005
Comparing alchemical and physical pathway methods for computing the absolute binding free energy of charged ligands
N Deng, D Cui, BW Zhang, J Xia, J Cruz, R Levy
Physical Chemistry Chemical Physics 20 (25), 17081-17092, 2018
412018
Asynchronous replica exchange software for grid and heterogeneous computing
E Gallicchio, J Xia, WF Flynn, B Zhang, S Samlalsingh, A Mentes, ...
Computer physics communications 196, 236-246, 2015
402015
When sugars get wet. A comprehensive study of the behavior of water on the surface of oligosaccharides
SK Ramadugu, YH Chung, J Xia, CJ Margulis
The Journal of Physical Chemistry B 113 (31), 11003-11015, 2009
402009
WESTPA 2.0: High-performance upgrades for weighted ensemble simulations and analysis of longer-timescale applications
JD Russo, S Zhang, JMG Leung, AT Bogetti, JP Thompson, AJ DeGrave, ...
Journal of Chemical Theory and Computation 18 (2), 638-649, 2022
372022
Near-mean-field behavior in the generalized Burridge-Knopoff earthquake model with variable-range stress transfer
J Xia, H Gould, W Klein, JB Rundle
Physical Review E 77 (3), 031132, 2008
372008
A stochastic solution to the unbinned WHAM equations
BW Zhang, J Xia, Z Tan, RM Levy
The journal of physical chemistry letters 6 (19), 3834-3840, 2015
342015
NMR relaxation in proteins with fast internal motions and slow conformational exchange: model-free framework and Markov state simulations
J Xia, N Deng, RM Levy
The Journal of Physical Chemistry B 117 (22), 6625-6634, 2013
332013
Sugar folding: A novel structural prediction tool for oligosaccharides and polysaccharides 2
J Xia, RP Daly, FC Chuang, L Parker, JH Jensen, CJ Margulis
Journal of Chemical Theory and Computation 3 (4), 1629-1643, 2007
332007
Diffusion and residence time of hydrogen peroxide and water in crowded protein environments
YH Chung, J Xia, CJ Margulis
The Journal of Physical Chemistry B 111 (46), 13336-13344, 2007
322007
Molecular dynamics simulation of the local inherent structure of liquid silicon at different temperatures
CS Liu, ZG Zhu, J Xia, DY Sun
Physical Review B 60 (5), 3194, 1999
271999
Large‐scale asynchronous and distributed multidimensional replica exchange molecular simulations and efficiency analysis
J Xia, WF Flynn, E Gallicchio, BW Zhang, P He, Z Tan, RM Levy
Journal of computational chemistry 36 (23), 1772-1785, 2015
262015
Sugar folding: A novel structural prediction tool for oligosaccharides and polysaccharides 1
J Xia, RP Daly, FC Chuang, L Parker, JH Jensen, CJ Margulis
Journal of chemical theory and computation 3 (4), 1620-1628, 2007
262007
Searching and optimizing structure ensembles for complex flexible sugars
J Xia, CJ Margulis, DA Case
Journal of the American Chemical Society 133 (39), 15252-15255, 2011
242011
A tool for the prediction of structures of complex sugars
J Xia, C Margulis
Journal of biomolecular NMR 42, 241-256, 2008
242008
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