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Constructing effective energy functions for protein structure prediction through broadening attraction-basin and reverse Monte Carlo sampling 会议论文
BMC BIOINFORMATICS, Wuhan, PEOPLES R CHINA, JAN 14-16, 2019
Authors:  Wang, C;  Wei, Y;  Zhang, HC;  Kong, LP;  Sun, SW;  Zheng, WM;  Bu, DB
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TERTIARY STRUCTURES  FRAGMENTS  
Constructing effective energy functions for protein structure prediction through broadening attraction-basin and reverse Monte Carlo sampling 期刊论文
BMC BIOINFORMATICS, 2019, 卷号: 20, 页码: 135
Authors:  Wang, C;  Wei, Y;  Zhang, HC;  Kong, LP;  Sun, SW;  Zheng, WM;  Bu, DB
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TERTIARY STRUCTURES  FRAGMENTS  
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
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SPATIAL HETEROGENEITY  ATOMIC CHARGES  CHAIN-LENGTH  TRANSITION  INSIGHTS  DIFFUSION  STATE  
Comparing NMR and X-ray protein structure: Lindemann-like parameters and NMR disorder 期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2018, 卷号: 36, 期号: 9, 页码: 2331-2341
Authors:  Faraggi, E;  Dunker, AK;  Sussman, JL;  Kloczkowski, A
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BACKBONE TORSION ANGLES  MAJOR URINARY PROTEIN  INTRINSIC DISORDER  STRUCTURE PREDICTION  SECONDARY STRUCTURE  CRYSTAL-STRUCTURE  DYNAMICS  DIFFRACTION  CRYSTALLOGRAPHY  RECOGNITION  
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  
Improving protein fold recognition by extracting fold-specific features from predicted residue-residue contacts 期刊论文
BIOINFORMATICS, 2017, 卷号: 33, 期号: 23, 页码: 3749-3757
Authors:  Zhu, JW;  Zhang, HC;  Li, SC;  Wang, C;  Kong, LP;  Sun, SW;  Zheng, WM;  Bu, DB;  Bu, DB (reprint author), Chinese Acad Sci, Inst Comp Technol, Key Lab Intelligent Informat 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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F-1-ATPase Stabilizes and Positions Adenosine Triphosphate Revealed by Molecular Dynamics Simulations 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2015, 卷号: 31, 期号: 9, 页码: 1803-1809
Authors:  Wu, SG;  Gao, XT;  Li, Q;  Liao, J;  Xu, CG;  Wu, SG (reprint author), Sichuan Normal Univ, Coll Chem & Mat Sci, Chengdu 610068, Peoples R China.
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F-1-atpase  Hydrogen Bond  Molecular Dynamics  Mutation  
Molecular dynamics simulations of the lyotropic reverse hexagonal (H-II) of Guerbet branched-chain beta-D-glucoside 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2014, 卷号: 16, 期号: 1, 页码: 324-334
Authors:  Nguan, H;  Ahmadi, S;  Hashim, R;  Hashim, R (reprint author), Univ Malaya, Dept Chem, Fac Sci, Kuala Lumpur 50603, Malaysia.
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X-ray-diffraction  Liver Microsomal-membranes  Liquid-crystalline Phases  Sodium Dodecyl-sulfate  Synthetic Glycolipids  Astonishing Diversity  Natural Surfactants  Aqueous-solution  Force-field  Hii Phase  
Formation and dissociation of protonated cytosine-cytosine base pairs in i-motifs by ab initio quantum chemical calculations 期刊论文
CHINESE PHYSICS B, 2014, 卷号: 23, 期号: 2, 页码: 20702
Authors:  Zhang, XH;  Li, M;  Wang, YT;  Ouyang, ZC;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
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Crystal-structure  Gas-phase  Dna  Dynamics  Telomere  Strand  
Shear-induced domain deformation in a tilted lipid monolayer: From circle to ellipse and kinked stripe 期刊论文
PHYSICAL REVIEW E, 2008, 卷号: 78, 期号: 5, 页码: -
Authors:  Iwamoto, Mitsumasa;  Yamamoto, Tetsuya;  Liu, Fei;  Ou-Yang, Zhong-Can;  Iwamoto, M , Tokyo Inst Technol, Dept Phys Elect, Meguro Ku, 2-12-1 S3-33 O Okayama, Tokyo 1528552, Japan
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Air-water-interface  X-ray-diffraction  Langmuir Monolayers  Phase-transitions  Fluorescence Microscopy  Molecular-orientation  Polar-molecules  Liquid-crystals  Flow  Relaxation