ITP OpenIR

Browse/Search Results:  1-10 of 10 Help

Filters    
Selected(0)Clear Items/Page:    Sort:
MQAPsingle: A quasi single-model approach for estimation of the quality of individual protein structure models 期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2016, 卷号: 84, 期号: 8, 页码: 1021-1028
Authors:  Pawlowski, M;  Kozlowski, L;  Kloczkowski, A;  Kloczkowski, A (reprint author), Nationwide Childrens Hosp, Res Inst, Battelle Ctr Math Med, 700 Childrens Dr, Columbus, OH 43205 USA.
Adobe PDF(1285Kb)  |  Favorite  |  View/Download:96/0  |  Submit date:2017/10/13
Model Quality Assessment  Protein Structure  Protein Prediction  Mqap  Single-model Mqap  Model Correctness  Casp10  
Mechanism of pyrophosphate ion release in T7 RNA polymerase revealed by free energy simulations 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2016, 卷号: 1094, 页码: 127-132
Authors:  Wu, SG;  Jiang, MQ;  Liu, L;  Wu, SG (reprint author), Sichuan Normal Univ, Coll Chem & Mat Sci, Chengdu 610068, Peoples R China.
Adobe PDF(1649Kb)  |  Favorite  |  View/Download:94/1  |  Submit date:2017/10/13
Molecular Dynamics Simulation  T7 Rna Polymerase  Ppi Release  Potential Of Mean Force  
Defect-Free Perpendicular Diblock Copolymer Films: The Synergy Effect of Surface Topography and Chemistry 期刊论文
MACROMOLECULES, 2016, 卷号: 49, 期号: 21, 页码: 8241-8248
Authors:  Man, XK;  Zhou, P;  Tang, JZ;  Yan, DD;  Andelman, D;  Man, XK (reprint author), Beihang Univ, Ctr Soft Matter Phys & Its Applicat, Beijing 100191, Peoples R China.;  Man, XK (reprint author), Beihang Univ, Sch Phys & Nucl Energy Engn, Beijing 100191, Peoples R China.;  Andelman, D (reprint author), Chinese Acad Sci, Inst Theoret Phys, CAS Key Lab Theoret Phys, Beijing 100190, Peoples R China.;  Andelman, D (reprint author), Tel Aviv Univ, Raymond & Beverly Sackler Sch Phys & Astron, IL-69978 Tel Aviv, Israel.
Adobe PDF(5758Kb)  |  Favorite  |  View/Download:97/1  |  Submit date:2017/10/13
Phase behavior of ABC-type triple-hydrophilic block copolymers in aqueous solutions 期刊论文
EUROPEAN PHYSICAL JOURNAL E, 2016, 卷号: 39, 期号: 7, 页码: 75
Authors:  Zheng, LF;  Wu, JQ;  Wang, Z;  Yin, YH;  Jiang, R;  Li, BH;  Li, BH (reprint author), Nankai Univ, Sch Phys, Minist Educ, Key Lab Funct Polymer Mat, Tianjin 300071, Peoples R China.;  Li, BH (reprint author), Collaborat Innovat Ctr Chem Sci & Engn Tianjin, Tianjin 300071, Peoples R China.;  Li, BH (reprint author), Chinese Acad Sci, Kavli Inst Theoret Phys China, Beijing 100190, Peoples R China.
Adobe PDF(4075Kb)  |  Favorite  |  View/Download:96/4  |  Submit date:2017/10/13
Solute based Lagrangian scheme in modeling the drying process of soft matter solutions 期刊论文
EUROPEAN PHYSICAL JOURNAL E, 2016, 卷号: 39, 期号: 2, 页码: 22
Authors:  Meng, FL;  Luo, L;  Doi, MS;  Ouyang, ZC;  Meng, FL (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.;  Meng, FL (reprint author), Kavli Inst Theoret Phys China, Beijing 100190, Peoples R China.;  Doi, MS (reprint author), Beihang Univ, Ctr Soft Matter Phys & Its Applicat, Beijing 100191, Peoples R China.
Adobe PDF(1072Kb)  |  Favorite  |  View/Download:103/6  |  Submit date:2017/10/13
Dual Ionic and Organic Nature of Ionic Liquids 期刊论文
SCIENTIFIC REPORTS, 2016, 卷号: 6, 页码: 19644
Authors:  Shi, R;  Wang, YT;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, 55 East Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China.
Adobe PDF(1219Kb)  |  Favorite  |  View/Download:94/5  |  Submit date:2017/10/13
Effect of Ion Rigidity on Physical Properties of Ionic Liquids Studied by Molecular Dynamics Simulation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 卷号: 120, 期号: 25, 页码: 5678-5690
Authors:  Ramirez-Gonzalez, PE;  Ren, G;  Saielli, G;  Wang, YT;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, CAS Key Lab Theoret Phys, 55 East Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China.
Adobe PDF(7288Kb)  |  Favorite  |  View/Download:99/2  |  Submit date:2017/10/13
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.
Adobe PDF(3072Kb)  |  Favorite  |  View/Download:123/7  |  Submit date:2017/10/13
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.
Adobe PDF(54699Kb)  |  Favorite  |  View/Download:114/0  |  Submit date:2017/10/13
Solvent Effect  Peptide Self-assembly  Molecular Dynamics Simulation  
Role of the Electrostatic Interactions in the Stabilization of Ionic Liquid Crystals: Insights from Coarse-Grained MD Simulations of an Imidazolium Model 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 卷号: 120, 期号: 34, 页码: 9152-9160
Authors:  Saielli, G;  Wang, YT;  Saielli, G (reprint author), Univ Padua, Unit Padova, CNR Inst Membrane Technol, Via Marzolo, I-35131 Padua, Italy.;  Saielli, G (reprint author), Univ Padua, Dept Chem Sci, Via Marzolo, I-35131 Padua, Italy.
Adobe PDF(2367Kb)  |  Favorite  |  View/Download:94/2  |  Submit date:2017/10/13