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Molecular Dynamics Simulation of the Structural, Mechanical, and Reprocessing Properties of Vitrimers Based on a Dynamic Covalent Polymer Network
期刊论文
MACROMOLECULES, 2022, 卷号: 55, 期号: 4, 页码: 1091-1103
Authors:
Zhao, Hengheng
;
Wei, Xuefeng
;
Fang, Yue
;
Gao, Ke
;
Yue, Tongkui
;
Zhang, Liqun
;
Ganesan, Venkat
;
Meng, Fanlong
;
Liu, Jun
Adobe PDF(6045Kb)
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Submit date:2023/01/16
ADAPTABLE NETWORKS
STRESS-RELAXATION
RUBBER ELASTICITY
LINEAR POLYMER
SHAPE-MEMORY
BOND
TEMPERATURE
VISCOELASTICITY
COMPOSITES
KINETICS
Phase behaviors of ionic liquids attributed to the dual ionic and organic nature
期刊论文
COMMUNICATIONS IN THEORETICAL PHYSICS, 2022, 卷号: 74, 期号: 9, 页码: 97601
Authors:
Tang, Chenyu
;
Wang, Yanting
Adobe PDF(1903Kb)
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Submit date:2023/01/16
MOLECULAR-DYNAMICS SIMULATION
COARSE-GRAINED MODELS
AB-INITIO DATA
FORCE-FIELD
NANOSTRUCTURAL ORGANIZATION
SPATIAL HETEROGENEITY
BENZENE MIXTURES
TAIL AGGREGATION
CAR-PARRINELLO
CONFINED WATER
Origin of the Surprising Mechanical Stability of Kinesin's Neck Coiled Coil
期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2021, 卷号: 17, 期号: 2, 页码: 1017-1029
Authors:
Liu, Shu-Xia
;
Lu, Gang
;
Zhang, Hui
;
Geng, Yi-Zhao
;
Jix, Qing
Adobe PDF(6154Kb)
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Submit date:2021/09/27
Kinetic assays of DNA polymerase fidelity: A theoretical perspective beyond Michaelis-Menten kinetics
期刊论文
PHYSICAL REVIEW E, 2021, 卷号: 104, 期号: 1, 页码: 14408
Authors:
Li, Qiu-Shi
;
Shu, Yao-Gen
;
Ou-Yang, Zhong-Can
;
Li, Ming
Adobe PDF(2029Kb)
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Submit date:2021/09/27
NUCLEOTIDE INCORPORATION
CONFORMATIONAL-CHANGES
SPONTANEOUS MUTATION
TRANSLOCATION STEP
MECHANISM
REPLICATION
EXONUCLEASE
SELECTION
DYNAMICS
BINDING
Percolation Phase Transition from Ionic Liquids to Ionic Liquid Crystals
期刊论文
SCIENTIFIC REPORTS, 2019, 卷号: 9, 页码: 13169
Authors:
Li, Shen
;
Wang, Yanting
Adobe PDF(4315Kb)
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Submit date:2020/06/16
NANOSTRUCTURAL ORGANIZATION
SPATIAL HETEROGENEITY
DYNAMICS
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
Adobe PDF(4363Kb)
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Submit date:2019/07/19
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
Adobe PDF(703Kb)
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View/Download:213/0
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Submit date:2018/12/27
BACKBONE TORSION ANGLES
MAJOR URINARY PROTEIN
INTRINSIC DISORDER
STRUCTURE PREDICTION
SECONDARY STRUCTURE
CRYSTAL-STRUCTURE
DYNAMICS
DIFFRACTION
CRYSTALLOGRAPHY
RECOGNITION
Protection-against-water-attack determined difference between strengths of backbone hydrogen bonds in kinesin's neck zipper region
期刊论文
CHINESE PHYSICS B, 2018, 卷号: 27, 期号: 2, 页码: 28704
Authors:
Qin, JY
;
Geng, YZ
;
Lu, G
;
Ji, Q
;
Fang, HP
Adobe PDF(4707Kb)
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Submit date:2018/12/27
MOLECULAR-DYNAMICS
MOTOR
PROTEINS
LINKER
BINDING
DOMAIN
FORCE
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
Adobe PDF(1129Kb)
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View/Download:198/0
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Submit date:2019/07/19
RESIDUE FORCE-FIELD
KNOWLEDGE-BASED POTENTIALS
ACCESSIBLE SURFACE-AREA
STRUCTURE PREDICTION
MOLECULAR-DYNAMICS
STATISTICAL POTENTIALS
STRUCTURE SIMULATIONS
POLYPEPTIDE-CHAINS
SCORING FUNCTION
WEB SERVER
Protection-against-water-attack determined difference between strengths of backbone hydrogen bonds in kinesin's neck zipper region
期刊论文
CHINESE PHYSICS B, 2018, 卷号: 27, 期号: 2, 页码: 28704
Authors:
Qin, JY
;
Geng, YZ
;
Lu, G
;
Ji, Q
;
Fang, HP
Adobe PDF(4707Kb)
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View/Download:181/0
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Submit date:2019/07/19
MOLECULAR-DYNAMICS
MOTOR
PROTEINS
LINKER
BINDING
DOMAIN
FORCE