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Metastable State during Melting and Solid-Solid Phase Transition of [C&ITn&ITMim][NO3] (&ITn&IT=4-12) Ionic Liquids by Molecular Dynamics Simulation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 卷号: 122, 期号: 1, 页码: 229-239
Authors:  Cao, WD;  Wang, YT;  Saielli, G
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HEXAFLUOROPHOSPHATE SALTS  CHAIN-LENGTH  FORCE-FIELD  CRYSTALS  BEHAVIOR  DIFFUSION  INSIGHTS  SYSTEMS  
Anchor Effect of Interactions Between Kinesin's Nucleotide-Binding Pocket and Microtubule 期刊论文
CELLULAR AND MOLECULAR BIOENGINEERING, 2017, 卷号: 10, 期号: 2, 页码: 162-173
Authors:  Jin, YM;  Geng, YZ;  Lu, LN;  Ma, YL;  Lu, G;  Zhang, H;  Ji, Q;  Geng, YZ (reprint author), Hebei Univ Technol, Sch Sci, Tianjin 300401, Peoples R China.;  Ji, Q (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
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Kinesin  Microtubule  Nucleotide-binding Pocket  Anchor Effect  
Smoothing potential energy surface of proteins by hybrid coarse grained approach 期刊论文
CHINESE PHYSICS B, 2017, 卷号: 26, 期号: 5, 页码: 50202
Authors:  Lu, YK;  Zhou, X;  OuYang, ZC;  Zhou, X (reprint author), Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100049, Peoples R China.
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Coarse-grained  Hybrid Force Field  Enhanced Sampling  Protein Folding  
Induced Attraction between Polystyrene Colloidal Particles in a Binary Mixture with PNIPAM Colloidal Microgels 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2017, 卷号: 121, 期号: 21, 页码: 5391-5395
Authors:  Igwe, IE;  Zong, YW;  Yang, XN;  Ouyang, ZC;  Chen, K;  Ouyang, ZC (reprint author), Chinese Acad Sci, Inst Theoret Phys, Zhong Guan Cun East St 55,POB 2735, Beijing 100190, Peoples R China.;  Chen, K (reprint author), Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China.;  Chen, K (reprint author), Chinese Acad Sci, Key Lab Soft Matter Phys, Inst Phys, Beijing 100190, Peoples R China.
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Molecular dynamics simulation study of the "stay or leave" problem for two magnesium ions in gene transcription 期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2017, 卷号: 85, 期号: 6, 页码: 1002-1007
Authors:  Wu, SG;  Wu, SG (reprint author), Sichuan Normal Univ, Coll Chem & Mat Sci, Chengdu 610066, Peoples R China.
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Molecular Dynamics Simulation  T7 Rna Polymerase  Magnesium Ion  Transcription Mechanism  Free Energy  
Designing a Double-Pole Nanoscale Relay Based on a Carbon Nanotube: A Theoretical Study 期刊论文
PHYSICAL REVIEW APPLIED, 2017, 卷号: 8, 期号: 2, 页码: 24006
Authors:  Mu, WH;  Ou-Yang, ZC;  Dresselhaus, MS;  Mu, WH (reprint author), Wenzhou Med Univ, Sch Biomed Engn, Eye Hosp, Sch Ophthalmol & Optometry, Wenzhou 325027, Peoples R China.;  Mu, WH (reprint author), Chinese Acad Sci, CNITECH, Wenzhou Inst Biomat & Engn, Wenzhou 325001, Peoples R China.
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Anisotropic formation mechanism and nanomechanics for the self-assembly process of cross-beta peptides 期刊论文
CHINESE PHYSICS B, 2017, 卷号: 26, 期号: 12, 页码: 128701
Authors:  Deng, L;  Zhao, YR;  Zhou, P;  Xu, H;  Wang, YT
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Steered Molecular-dynamics  Atomic-force Microscopy  Particle Mesh Ewald  Amyloid Fibrils  Free-energy  Intermolecular Forces  Monte-carlo  Nanotubes  Systems  Simulations  
Complex fields in heterogeneous materials under shock: modeling, simulation and analysis 期刊论文
SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY, 2016, 卷号: 59, 期号: 5, 页码: 650501
Authors:  Xu, AG;  Zhang, GC;  Ying, YJ;  Wang, C;  Xu, AG (reprint author), Inst Appl Phys & Computat Math, Lab Computat Phys, POB 8009-26, Beijing 100088, Peoples R China.;  Xu, AG (reprint author), Peking Univ, Coll Engn, MOE Key Ctr High Energy Dens Phys Simulat, Ctr Appl Phys & Technol, Beijing 100871, Peoples R China.;  Xu, AG (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
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Complex Fields  Heterogeneous Material  Molecular Dynamics  Material Point Method  Discrete Boltzmann Model  
Free Energy Calculation for Base Pair Dissociation in a DNA Duplex 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2016, 卷号: 32, 期号: 5, 页码: 1282-1288
Authors:  Wu, SG;  Feng, D;  Wu, SG (reprint author), Sichuan Normal Univ, Coll Chem & Mat Sci, Chengdu 610068, Peoples R China.;  Wu, SG (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
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Potential Of Mean Force  Hydrogen Bond  Molecular Dynamics Simulation  Umbrella Sampling  
Dual Ionic and Organic Nature of Ionic Liquids 期刊论文
SCIENTIFIC REPORTS, 2016, 卷号: 6, 页码: 19644
Authors:  Shi, R;  Wang, YT;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, 55 East Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China.
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