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Initiation Mechanism of Kinesin's Neck Linker Docking Process 期刊论文
CHINESE PHYSICS LETTERS, 2017, 卷号: 34, 期号: 2, 页码: 28701
Authors:  Geng, YZ;  Zhang, H;  Lyu, G;  Ji, Q;  Ji, Q (reprint author), Hebei Univ Technol, Inst Biophys, Tianjin 300401, Peoples R China.;  Ji, Q (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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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  
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  
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  
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.
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Short Peptides  Self-assembly  Nanostructures  Intermolecular Interactions  Molecular Packing Modes  Molecular Dynamics  
Jarzynski matrix equality: Calculating the free-energy difference by nonequilibrium simulations with an arbitrary initial distribution 期刊论文
PHYSICAL REVIEW E, 2016, 卷号: 93, 期号: 4, 页码: 43312
Authors:  Wan, B;  Yang, C;  Wang, YT;  Zhou, X;  Zhou, X (reprint author), Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100049, Peoples R China.
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Interplay between Intrinsic Conformational Propensities and Intermolecular Interactions in the Self-Assembly of Short Surfactant-like Peptides Composed of Leucine/Isoleucine 期刊论文
LANGMUIR, 2016, 卷号: 32, 期号: 18, 页码: 4662-4672
Authors:  Zhou, P;  Deng, L;  Wang, YT;  Lu, JR;  Xu, H;  Xu, H (reprint author), China Univ Petr East China, State Key Lab Heavy Oil Proc, 66 Changjiang West Rd, Qingdao, Peoples R China.;  Xu, H (reprint author), China Univ Petr East China, Ctr Bioengn & Biotechnol, 66 Changjiang West Rd, Qingdao, Peoples R China.;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, 55 East Zhongguancun Rd, Beijing, Peoples R China.;  Lu, JR (reprint author), Univ Manchester Inst, Sch Phys & Astron, Phys Biol Lab, Manchester M13 9PL, Lancs, England.
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MQAPsingle: A quasi single-model approach for estimation of the quality of individual protein structure models 期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2016, 卷号: 84, 期号: 8, 页码: 1021-1028
Authors:  Pawlowski, M;  Kozlowski, L;  Kloczkowski, A;  Kloczkowski, A (reprint author), Nationwide Childrens Hosp, Res Inst, Battelle Ctr Math Med, 700 Childrens Dr, Columbus, OH 43205 USA.
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Model Quality Assessment  Protein Structure  Protein Prediction  Mqap  Single-model Mqap  Model Correctness  Casp10  
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