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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  
蛋白质三级结构预测算法综述 期刊论文
计算机学报, 2018, 卷号: 41, 期号: 04, 页码: 760-779
Authors:  王超;  朱建伟;  张海仓;  巩海娥;  郑伟谋;  卜东波
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蛋白质结构  同源建模  归范法  从头预测法  能量函数  动态规划  线性规划  
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  
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  
Effects of cooperation between translating ribosome and RNA polymerase on termination efficiency of the Rho-independent terminator 期刊论文
NUCLEIC ACIDS RESEARCH, 2016, 卷号: 44, 期号: 6, 页码: 2554-2563
Authors:  Li, R;  Zhang, Q;  Li, JB;  Shi, HL;  Shi, HL (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.;  Li, JB (reprint author), Chinese Acad Sci, Inst Chem, Beijing 100190, Peoples R China.;  Li, JB (reprint author), Natl Ctr Nanosci & Technol, Beijing 100190, Peoples R China.
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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  
Modulation of intra- and inter-sheet interactions in short peptide self-assembly by acetonitrile in aqueous solution 期刊论文
CHINESE PHYSICS B, 2016, 卷号: 25, 期号: 12, 页码: 128704
Authors:  Deng, L;  Zhao, YR;  Zhou, P;  Xu, H;  Wang, YT;  Xu, H (reprint author), China Univ Petr East China, Ctr Bioengn & Biotechnol, Qingdao 266580, Peoples R China.;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, Key Lab Theoret Phys, Beijing 100190, Peoples R China.;  Wang, YT (reprint author), Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100049, Peoples R China.
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Solvent Effect  Peptide Self-assembly  Molecular Dynamics Simulation  
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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Reweighted ensemble dynamics simulations: Theory, improvement, and application 期刊论文
CHINESE PHYSICS B, 2015, 卷号: 24, 期号: 6, 页码: 60202
Authors:  Gong, LC;  Zhou, X;  Ouyang, ZC;  Zhou, X (reprint author), Univ Chinese Acad Sci, Sch Phys, Beijing 100049, Peoples R China.
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Ensemble Dynamics Simulations  Peptides  Enhanced Sampling  Metastable States  
Line active molecules promote inhomogeneous structures in membranes: Theory, simulations and experiments 期刊论文
ADVANCES IN COLLOID AND INTERFACE SCIENCE, 2014, 卷号: 208, 期号: -, 页码: 58-65
Authors:  Palmieri, B;  Yamamoto, T;  Brewster, RC;  Safran, SA;  Safran, SA (reprint author), Weizmann Inst Sci, Dept Mat & Interfaces, IL-76100 Rehovot, Israel.
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Hybrid Lipids  Modulated Phases  Domain Formation  Model Membranes  Maximum Solubility  Bilayer Mixtures  Fluid Membranes  Lattice Model  Raft Domains  Cholesterol