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Mechanism of NTP Binding to the Active Site of T7 RNA Polymerase Revealed by Free-Energy Simulation 期刊论文
BIOPHYSICAL JOURNAL, 2017, 卷号: 112, 期号: 11, 页码: 2253-2260
Authors:  Wu, SG;  Li, LC;  Li, Q;  Wu, SG (reprint author), Sichuan Normal Univ, Coll Chem & Mat Sci, Chengdu, Peoples R China.;  Wu, SG (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing, Peoples R China.
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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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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  
Improving prediction of burial state of residues by exploiting correlation among residues 期刊论文
BMC BIOINFORMATICS, 2017, 卷号: 18, 页码: 70
Authors:  Gong, HE;  Zhang, HC;  Zhu, JW;  Wang, C;  Sun, SW;  Zheng, WM;  Bu, DB;  Bu, DB (reprint author), Chinese Acad Sci, Inst Comp Technol, Key Lab Intelligent Proc, Beijing 100190, Peoples R China.;  Zheng, WM (reprint author), Chinese Acad Sci, Inst Theoret Phys, Beijing 100190, Peoples R China.
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Protein Structure  Burial States Of Residue  Conditional Random Field  Residue Correlation  
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  
Molecular Origin of Donor- and Acceptor-Rich Domain Formation in Bulk-Heterojunction Solar Cells with an Enhanced Charge Transport Efficiency 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 卷号: 121, 期号: 11, 页码: 5864-5870
Authors:  Long, GK;  Shi, R;  Zhou, YC;  Li, AL;  Kan, B;  Wu, WR;  Jeng, US;  Xu, T;  Yan, TY;  Zhang, MT;  Yang, X;  Sun, LT;  Gray-Weale, A;  Wan, XJ;  Zhang, HT;  Li, CX;  Wang, YT;  Chen, YS;  Chen, YS (reprint author), Nankai Univ, Sch Mat Sci & Engn, Collaborat Innovat Ctr Chem Sci & Engn, State Key Lab & Inst Elemento Organ Chem, Tianjin 300071, Peoples R China.;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, CAS Key Lab Theoret Phys, 55 E Zhongguancun Rd,P Box 2735, Beijing 100190, Peoples R China.
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Stabilities and Dynamics of Protein Folding Nuclei by Molecular Dynamics Simulation 期刊论文
COMMUNICATIONS IN THEORETICAL PHYSICS, 2017, 卷号: 68, 期号: 1, 页码: 137-148
Authors:  Song, YS;  Zhou, X;  Zheng, WM;  Wang, YT;  Wang, YT (reprint author), Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100049, Peoples R China.;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, Key Lab Theoret Phys, Beijing 100190, Peoples R China.
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Protein Folding  Molecular Dynamics Simulation  Structure Prediction  
Thermal properties of a two-dimensional intrinsically curved semiflexible biopolymer 期刊论文
CHINESE PHYSICS B, 2017, 卷号: 26, 期号: 3, 页码: 38701
Authors:  Zhou, ZC;  Wang, YT;  Zhou, ZC (reprint author), Tamkang Univ, Dept Phys, New Taipei, Taiwan.
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Thermal Property  Semiflexible Biopolymer  Intrinsic Curvature  
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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