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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  
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  
Defect Removal by Solvent Vapor Annealing in Thin Films of Lamellar Diblock Copolymers 期刊论文
MACROMOLECULES, 2019, 卷号: 52, 期号: 23, 页码: 9321-9333
Authors:  Xu, Xinpeng;  Man, Xingkun;  Doi, Masao;  Ou-Yang, Zhong-can;  Andelman, David
Favorite  |  View/Download:4/0  |  Submit date:2020/06/16
BLOCK POLYMER-SOLUTIONS  PHASE-SEPARATION  DILUTION APPROXIMATION  ORDERED STRUCTURE  ANNIHILATION  ORIENTATION  EVAPORATION  SIMULATION  DYNAMICS  KINETICS  
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  
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  
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)  |  Favorite  |  View/Download:30/0  |  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  
The Parallel Performance Optimization of The MS-CG Method 会议论文
PROCEEDINGS OF 2018 7TH INTERNATIONAL CONFERENCE ON SOFTWARE AND COMPUTER APPLICATIONS (ICSCA 2018), Kuantan, MALAYSIA, FEB 08-10, 2018
Authors:  Wang, T;  Xu, J;  Wang, YT;  Cao, WD;  He, BJ
Adobe PDF(516Kb)  |  Favorite  |  View/Download:38/0  |  Submit date:2019/07/24
MOLECULAR-DYNAMICS  
Template-based and free modeling of I-TASSER and QUARK pipelines using predicted contact maps in CASP12 期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2018, 卷号: 86, 页码: 136-151
Authors:  Zhang, CX;  Mortuza, SM;  He, BJ;  Wang, YT;  Zhang, Y
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PROTEIN-STRUCTURE PREDICTION  RESIDUE CONTACTS  SEQUENCE  ALIGNMENTS  ACCURACY  NETWORKS  ROLL  
Investigation of Ion-Solvent Interactions in Nonaqueous Electrolytes Using in Situ Liquid SIMS 期刊论文
ANALYTICAL CHEMISTRY, 2018, 卷号: 90, 期号: 5, 页码: 3341-3348
Authors:  Zhang, YY;  Su, M;  Yu, XF;  Zhou, YF;  Wang, JG;  Cao, RG;  Xu, W;  Wang, CM;  Baer, DR;  Borodin, O;  Xu, K;  Wang, YT;  Wang, XL;  Xu, ZJ;  Wang, FY;  Zhu, ZH
Adobe PDF(1064Kb)  |  Favorite  |  View/Download:61/0  |  Submit date:2018/12/27
CARBONATE-BASED ELECTROLYTES  DENSITY-FUNCTIONAL THEORY  MASS-SPECTROMETRY  BATTERY ELECTROLYTES  PROPYLENE CARBONATE  LI-ION  PREFERENTIAL SOLVATION  INTERPHASIAL CHEMISTRY  MOLECULAR-DYNAMICS  ETHYLENE CARBONATE  
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
Adobe PDF(52289Kb)  |  Favorite  |  View/Download:57/0  |  Submit date:2018/12/26
Steered Molecular-dynamics  Atomic-force Microscopy  Particle Mesh Ewald  Amyloid Fibrils  Free-energy  Intermolecular Forces  Monte-carlo  Nanotubes  Systems  Simulations