Junchao Xia - Search Results

Year	Number of Results
2005	1
2007	3
2008	3
2009	2
2011	4
2012	3
2013	2
2014	1
2015	3
2016	7
2017	3
2018	3
2019	2
2020	1
2022	3
2024	0

1

WESTPA 2.0: High-Performance Upgrades for Weighted Ensemble Simulations and Analysis of Longer-Timescale Applications.

Russo JD, Zhang S, Leung JMG, Bogetti AT, Thompson JP, DeGrave AJ, Torrillo PA, Pratt AJ, Wong KF, Xia J, Copperman J, Adelman JL, Zwier MC, LeBard DN, Zuckerman DM, Chong LT. Russo JD, et al. Among authors: xia j. J Chem Theory Comput. 2022 Feb 8;18(2):638-649. doi: 10.1021/acs.jctc.1c01154. Epub 2022 Jan 19. J Chem Theory Comput. 2022. PMID: 35043623 Free PMC article.

2

Mechanistic Insights into Passive Membrane Permeability of Drug-like Molecules from a Weighted Ensemble of Trajectories.

Zhang S, Thompson JP, Xia J, Bogetti AT, York F, Skillman AG, Chong LT, LeBard DN. Zhang S, et al. Among authors: xia j. J Chem Inf Model. 2022 Apr 25;62(8):1891-1904. doi: 10.1021/acs.jcim.1c01540. Epub 2022 Apr 14. J Chem Inf Model. 2022. PMID: 35421313 Free PMC article.

3

Crystal growth engineering and origin of the weak ferromagnetism in antiferromagnetic matrix of orthochromates from t-e orbital hybridization.

Zhu Y, Xia J, Wu S, Sun K, Yang Y, Zhao Y, Kan HW, Zhang Y, Wang L, Wang H, Fang J, Wang C, Wu T, Shi Y, Yu J, Zhang R, Li HF. Zhu Y, et al. Among authors: xia j. iScience. 2022 Mar 18;25(4):104111. doi: 10.1016/j.isci.2022.104111. eCollection 2022 Apr 15. iScience. 2022. PMID: 35402887 Free PMC article.

4

Enhanced Sampling of Interdomain Motion Using Map-Restrained Langevin Dynamics and NMR: Application to Pin1.

Bouchard JJ, Xia J, Case DA, Peng JW. Bouchard JJ, et al. Among authors: xia j. J Mol Biol. 2018 Jul 6;430(14):2164-2180. doi: 10.1016/j.jmb.2018.05.007. Epub 2018 May 16. J Mol Biol. 2018. PMID: 29775635 Free PMC article.

5

Measuring the magnitude of internal motion in a complex hexasaccharide.

Ganguly S, Xia J, Margulis C, Stanwyck L, Bush CA. Ganguly S, et al. Among authors: xia j. Biopolymers. 2011 Jan;95(1):39-50. doi: 10.1002/bip.21532. Biopolymers. 2011. PMID: 20683925

6

A Stochastic Solution to the Unbinned WHAM Equations.

Zhang BW, Xia J, Tan Z, Levy RM. Zhang BW, et al. Among authors: xia j. J Phys Chem Lett. 2015 Oct 1;6(19):3834-40. doi: 10.1021/acs.jpclett.5b01771. Epub 2015 Sep 14. J Phys Chem Lett. 2015. PMID: 26722879 Free PMC article.

7

Comparing alchemical and physical pathway methods for computing the absolute binding free energy of charged ligands.

Deng N , Cui D , Zhang BW , Xia J , Cruz J , Levy R . Deng N , et al. Among authors: xia j. Phys Chem Chem Phys. 2018 Jun 27;20(25):17081-17092. doi: 10.1039/c8cp01524d. Phys Chem Chem Phys. 2018. PMID: 29896599 Free PMC article.

8

Can orbital-free density functional theory simulate molecules?

Xia J, Huang C, Shin I, Carter EA. Xia J, et al. J Chem Phys. 2012 Feb 28;136(8):084102. doi: 10.1063/1.3685604. J Chem Phys. 2012. PMID: 22380027

9

Large scale free energy calculations for blind predictions of protein-ligand binding: the D3R Grand Challenge 2015.

Deng N, Flynn WF, Xia J, Vijayan RS, Zhang B, He P, Mentes A, Gallicchio E, Levy RM. Deng N, et al. Among authors: xia j. J Comput Aided Mol Des. 2016 Sep;30(9):743-751. doi: 10.1007/s10822-016-9952-x. Epub 2016 Aug 25. J Comput Aided Mol Des. 2016. PMID: 27562018 Free PMC article.

10

Super-Necking Crystal Growth and Structural and Magnetic Properties of SrTb₂O₄ Single Crystals.

Wu S, Zhu Y, Gao H, Xiao Y, Xia J, Zhou P, Ouyang D, Li Z, Chen Z, Tang Z, Li HF. Wu S, et al. Among authors: xia j. ACS Omega. 2020 Jun 29;5(27):16584-16594. doi: 10.1021/acsomega.0c01360. eCollection 2020 Jul 14. ACS Omega. 2020. PMID: 32685824 Free PMC article.

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