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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)  |  Favorite  |  View/Download:29/0  |  Submit date:2018/12/27
BACKBONE TORSION ANGLES  MAJOR URINARY PROTEIN  INTRINSIC DISORDER  STRUCTURE PREDICTION  SECONDARY STRUCTURE  CRYSTAL-STRUCTURE  DYNAMICS  DIFFRACTION  CRYSTALLOGRAPHY  RECOGNITION  
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:23/0  |  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  
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
Adobe PDF(930Kb)  |  Favorite  |  View/Download:29/0  |  Submit date:2019/09/05
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  
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:42/0  |  Submit date:2017/10/13
Model Quality Assessment  Protein Structure  Protein Prediction  Mqap  Single-model Mqap  Model Correctness  Casp10  
Systematically Constructing Kinetic Transition Network in Polypeptide from Top to Down: Trajectory Mapping 期刊论文
PLOS ONE, 2015, 卷号: 10, 期号: 5, 页码: UNSP e0125932
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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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.
Adobe PDF(904Kb)  |  Favorite  |  View/Download:46/3  |  Submit date:2016/11/21
Ensemble Dynamics Simulations  Peptides  Enhanced Sampling  Metastable States  
Accurate single-sequence prediction of solvent accessible surface area using local and global features 期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2014, 卷号: 82, 期号: 11, 页码: 3170-3176
Authors:  Faraggi, E;  Zhou, YQ;  Kloczkowski, A;  Faraggi, E (reprint author), Indiana Univ Sch Med, Dept Biochem & Mol Biol, Indianapolis, IN 46202 USA.
Favorite  |  View/Download:38/0  |  Submit date:2015/06/03
Protein Secondary Structure  Backbone Torsion Angles  Real-value Prediction  Regression