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Bridging chains mediate nonlinear mechanics of polymer nanocomposites under cyclic deformation 期刊论文
POLYMER, 2020, 卷号: 200, 页码: 122529
Authors:  Varol, H. Samet;  Srivastava, Anchit;  Kumar, Sachin;  Bonn, Mischa;  Meng, Fanlong;  Parekh, Sapun H.
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REINFORCEMENT  ELASTOMERS  MODEL  SOFT  SIZE  
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  
Poisson-Boltzmann theory with non-linear ion correlations 期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2019, 卷号: 31, 期号: 35, 页码: 355101
Authors:  Su, M;  Xu, ZJ;  Wang, YT
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ELECTRIC-DOUBLE-LAYER  INTEGRAL-EQUATION  ELECTROLYTES  INVERSION  
Reoptimized UNRES Potential for Protein Model Quality Assessment 期刊论文
GENES, 2018, 卷号: 9, 期号: 12, 页码: 601
Authors:  Faraggi, E;  Krupa, P;  Mozolewska, MA;  Liwo, A;  Kloczkowski, A
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RESIDUE FORCE-FIELD  KNOWLEDGE-BASED POTENTIALS  ACCESSIBLE SURFACE-AREA  STRUCTURE PREDICTION  MOLECULAR-DYNAMICS  STATISTICAL POTENTIALS  STRUCTURE SIMULATIONS  POLYPEPTIDE-CHAINS  SCORING FUNCTION  WEB SERVER  
Trapped Bose-Einstein condensates with quadrupole-quadrupole interactions 期刊论文
CHINESE PHYSICS B, 2018, 卷号: 27, 期号: 12, 页码: 120307
Authors:  Wang, AB;  Yi, S
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Aggregation behavior of dihexadecylviologen bistriflimide ionic liquid crystal in different solvents: influence of polarity and concentration 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 35, 页码: 22730-22738
Authors:  Li, S;  Saielli, G;  Wang, YT
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ELECTROCHROMIC DEVICES  DIELECTRIC-CONSTANT  MOLECULAR-SOLVENTS  ORGANIC-MOLECULES  AQUEOUS-SOLUTIONS  DFT CALCULATIONS  FORCE-FIELD  VIOLOGEN  NMR  SIMULATIONS  
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  
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  
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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