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Fast and accurate determination of phase transition temperature via individual generalized canonical ensemble simulation 期刊论文
CHINESE PHYSICS B, 2020, 卷号: 29, 期号: 8, 页码: 80505
Authors:  Shao, Ming-Zhe;  Wang, Yan-Ting;  Zhou, Xin
Adobe PDF(1998Kb)  |  Favorite  |  View/Download:36/0  |  Submit date:2020/11/26
MOLECULAR-DYNAMICS SIMULATION  POTENTIAL MODEL  WATER  ICE  CRYSTALLIZATION  INTERFACE  
Real-time mass spectrometric characterization of the solid-electrolyte interphase of a lithium-ion battery 期刊论文
NATURE NANOTECHNOLOGY, 2020, 卷号: 15, 期号: 3, 页码: 224
Authors:  Zhou, Yufan;  Su, Mao;  Yu, Xiaofei;  Zhang, Yanyan;  Wang, Jun-Gang;  Ren, Xiaodi;  Cao, Ruiguo;  Xu, Wu;  Baer, Donald R.;  Du, Yingge;  Borodin, Oleg;  Wang, Yanting;  Wang, Xue-Lin;  Xu, Kang;  Xu, Zhijie;  Wang, Chongmin;  Zhu, Zihua
Favorite  |  View/Download:46/0  |  Submit date:2020/06/16
FORCE-FIELD  DYNAMICS  LIQUID  METAL  INTERFACE  GRAPHITE  SURFACE  SIMULATIONS  EFFICIENCY  ENERGY  
Multiscale computational prediction of beta-sheet peptide self-assembly morphology 期刊论文
MOLECULAR SIMULATION, 2020, 页码: 暂无
Authors:  Deng, Li;  Wang, Yanting
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MOLECULAR-DYNAMICS METHOD  INTERMOLECULAR FORCES  PROTEIN AGGREGATION  NANOMECHANICS  POLYMORPHISM  SIMULATIONS  TRANSITIONS  NANOTUBES  FIBRILS  SOLVENT  
Phase Behaviors of Ionic Liquids Heating from Different Crystal Polymorphs toward the Same Smectic-A Ionic Liquid Crystal by Molecular Dynamics Simulation 期刊论文
CRYSTALS, 2019, 卷号: 9, 期号: 1, 页码: 26
Authors:  Cao, WD;  Wang, YT
Adobe PDF(4363Kb)  |  Favorite  |  View/Download:104/1  |  Submit date:2019/07/19
SPATIAL HETEROGENEITY  ATOMIC CHARGES  CHAIN-LENGTH  TRANSITION  INSIGHTS  DIFFUSION  STATE  
Dynamic heterogeneity in aqueous ionic solutions 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 33, 页码: 21313-21324
Authors:  Ren, G;  Chen, L;  Wang, YT
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ALKALI-HALIDE SOLUTIONS  STOKES-EINSTEIN RELATION  MOLECULAR-DYNAMICS  CONDUCTIVITY RELAXATION  DIELECTRIC-SPECTROSCOPY  HOMOGENEOUS NUCLEATION  ELECTROLYTE-SOLUTIONS  SUPERCOOLED WATER  LIGHT-SCATTERING  LENNARD-JONES  
Template-based and free modeling of I-TASSER and QUARK pipelines using predicted contact maps in CASP12 期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2018, 卷号: 86, 页码: 136-151
Authors:  Zhang, CX;  Mortuza, SM;  He, BJ;  Wang, YT;  Zhang, Y
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PROTEIN-STRUCTURE PREDICTION  RESIDUE CONTACTS  SEQUENCE  ALIGNMENTS  ACCURACY  NETWORKS  ROLL  
Atomic origins of water-vapour-promoted alloy oxidation 期刊论文
NATURE MATERIALS, 2018, 卷号: 17, 期号: 6, 页码: 514
Authors:  Luo, LL;  Su, M;  Yan, PF;  Zou, LF;  Schreiber, DK;  Baer, DR;  Zhu, ZH;  Zhou, GW;  Wang, YT;  Bruemmer, SM;  Xu, ZJ;  Wang, CM
Adobe PDF(2366Kb)  |  Favorite  |  View/Download:118/0  |  Submit date:2018/12/27
TRANSMISSION ELECTRON-MICROSCOPY  OXIDE-GROWTH  DYNAMICS  VISUALIZATION  ADHERENCE  SCALES  CR  ATMOSPHERES  INTERFACE  CATALYSIS  
NeBcon: protein contact map prediction using neural network training coupled with naiive Bayes classifiers 期刊论文
BIOINFORMATICS, 2017, 卷号: 33, 期号: 15, 页码: 2296-2306
Authors:  He, BJ;  Mortuza, SM;  Wang, YT;  Shen, HB;  Zhang, Y;  Zhang, Y (reprint author), Univ Michigan, Dept Computat Med & Bioinformat, Ann Arbor, MI 48109 USA.;  Zhang, Y (reprint author), Univ Michigan, Dept Biol Chem, Ann Arbor, MI 48109 USA.
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Different nanostructures caused by competition of intra- and inter-beta-sheet interactions in hierarchical self-assembly of short peptides 期刊论文
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2016, 卷号: 464, 页码: 219-228
Authors:  Zhou, P;  Deng, L;  Wang, YT;  Lu, JR;  Xu, H;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, 55 East Zhongguancun Road,POB 2735, Beijing 100190, Peoples R China.
Adobe PDF(3072Kb)  |  Favorite  |  View/Download:126/7  |  Submit date:2017/10/13
Short Peptides  Self-assembly  Nanostructures  Intermolecular Interactions  Molecular Packing Modes  Molecular Dynamics  
Modulation of intra- and inter-sheet interactions in short peptide self-assembly by acetonitrile in aqueous solution 期刊论文
CHINESE PHYSICS B, 2016, 卷号: 25, 期号: 12, 页码: 128704
Authors:  Deng, L;  Zhao, YR;  Zhou, P;  Xu, H;  Wang, YT;  Xu, H (reprint author), China Univ Petr East China, Ctr Bioengn & Biotechnol, Qingdao 266580, Peoples R China.;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, Key Lab Theoret Phys, Beijing 100190, Peoples R China.;  Wang, YT (reprint author), Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100049, Peoples R China.
Adobe PDF(54699Kb)  |  Favorite  |  View/Download:116/0  |  Submit date:2017/10/13
Solvent Effect  Peptide Self-assembly  Molecular Dynamics Simulation