ITP OpenIR

Browse/Search Results:  1-10 of 55 Help

Selected(0)Clear Items/Page:    Sort:
Fast and accurate determination of phase transition temperature via individual generalized canonical ensemble simulation 期刊论文
CHINESE PHYSICS B, 2020, 卷号: 29, 期号: 8, 页码: 80505
Authors:  Shao, Ming-Zhe;  Wang, Yan-Ting;  Zhou, Xin
Adobe PDF(1998Kb)  |  Favorite  |  View/Download:34/0  |  Submit date:2020/11/26
MOLECULAR-DYNAMICS SIMULATION  POTENTIAL MODEL  WATER  ICE  CRYSTALLIZATION  INTERFACE  
A brief review of continuous models for ionic solutions: the Poisson-Boltzmann and related theories 期刊论文
COMMUNICATIONS IN THEORETICAL PHYSICS, 2020, 卷号: 72, 期号: 6, 页码: UNSP 067601
Authors:  Su, Mao;  Wang, Yanting
Adobe PDF(546Kb)  |  Favorite  |  View/Download:41/0  |  Submit date:2020/06/16
ELECTRIC-DOUBLE-LAYER  EXCLUSION-VOLUME TERM  FIELD-THEORY  PAIR THEORY  ELECTROLYTE  CHARGE  ELECTROSTATICS  ATTRACTION  INVERSION  EQUATION  
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
Adobe PDF(1618Kb)  |  Favorite  |  View/Download:90/0  |  Submit date:2019/07/24
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, Chao;  Wei, Yi;  Zhang, Haicang;  Kong, Lupeng;  Sun, Shiwei;  Zheng, Wei-Mou;  Bu, Dongbo
Favorite  |  View/Download:7/0  |  Submit date:2020/11/26
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
Adobe PDF(1618Kb)  |  Favorite  |  View/Download:66/0  |  Submit date:2019/07/19
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
Adobe PDF(4363Kb)  |  Favorite  |  View/Download:104/1  |  Submit date:2019/07/19
SPATIAL HETEROGENEITY  ATOMIC CHARGES  CHAIN-LENGTH  TRANSITION  INSIGHTS  DIFFUSION  STATE  
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)  |  Favorite  |  View/Download:84/0  |  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)  |  Favorite  |  View/Download:74/0  |  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  
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)  |  Favorite  |  View/Download:70/0  |  Submit date:2019/07/19
MOLECULAR-DYNAMICS  MOTOR  PROTEINS  LINKER  BINDING  DOMAIN  FORCE  
Advances in the study of the mechanochemical coupling of kinesin 期刊论文
INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2018, 卷号: 32, 期号: 18, 页码: 1840001
Authors:  Li, M;  Ou-Yang, ZC;  Shu, YG
Adobe PDF(1300Kb)  |  Favorite  |  View/Download:99/0  |  Submit date:2018/12/27
SQUID GIANT-AXON  BOVINE BRAIN KINESIN  HAND-OVER-HAND  CRYSTAL-STRUCTURE  MOTOR DOMAIN  NECK LINKER  8-NM STEP  MOLECULAR MOTORS  OPTICAL-TRAP  FORCE