检索结果-内蒙古大学图书馆

BINANA: A novel algorithm for ligand-binding characterization

JOURNAL OF MOLECULAR GRAPHICS & MODELLING 2011年第6期29卷 888-893页

作者： Durrant, Jacob D. McCammon, J. Andrew Univ Calif San Diego Dept Chem & Biochem La Jolla CA 92093 USA Univ Calif San Diego NSF Ctr Theoret Biol Phys Dept Chem & Biochem La Jolla CA 92093 USA Univ Calif San Diego Dept Pharmacol La Jolla CA 92093 USA Univ Calif San Diego Howard Hughes Med Inst La Jolla CA 92093 USA

Computational chemists and structural biologists are often interested in characterizing ligand-receptor complexes for hydrogen-bond, hydrophobic, salt-bridge, van der Waals, and other interactions in order to assess ligand binding. When done by hand, this characterization can become tedious, especially when many complexes need be analyzed. In order to facilitate the characterization of ligand binding, we here present a novel Python-implemented computer algorithm called BINANA (BINding ANAlyzer), which is freely available for download at http://***/binana/. To demonstrate the utility of the new algorithm, we use BINANA to confirm that the number of hydrophobic contacts between a ligand and its protein receptor is positively correlated with ligand potency. Additionally, we show how BINANA can be used to search through a large ligand-receptor database to identify those complexes that are remarkable for selected binding features, and to identify lead candidates from a virtual screen with specific, desirable binding characteristics. We are hopeful that BINANA will be useful to computational chemists and structural biologists who wish to automatically characterize many ligand-receptor complexes for key binding characteristics. (C) 2011 Elsevier Inc. All rights reserved.

关键词： BINANA computer algorithm Ligand-binding analysis computer-aided drug design Structural biology Virtual screening

来源：评论

学校读者我要写书评

暂无评论

Lumped parameter estimation for the embryonic chick vascular system: a time-domain approach using MLAB

引用

computer METHODS AND PROGRAMS IN BIOMEDICINE 2000年第1期63卷 29-41页

作者： Yoshigi, M Knott, GD Keller, BB Univ Rochester Sch Med & Dent Dept PediatNatl Inst Hlth Specialized Ctr Res Pe Strong Childrens Res Ctr Rochester NY 14642 USA Civilized Software Inc Bethesda MD 20814 USA

We have evaluated several lumped parameter analog models for the early chick embryonic vascular system that may be used to infer loading characteristics of the developing heart. We measured dorsal aortic pressure and flow simultaneously with a servo-null pressure system and a pulsed Doppler velocimeter. Four different analog circuit models were chosen for comparisons. We formulated the time-domain differential equations specifying the relations between pressure and now in the models, and then estimated the lumped parameters that produced the best lit. The MLAB mathematical modeling software was used for solving differential equations, and for minimizing the difference between model-predicted values and experimental data. The traditional three-element Windkessel model with an added inductance term was most often the best-fitting model. This is compatible with the previous study using a frequency-domain approach. The procedures developed for the current study are adaptable for the study of a variety of nonlinear models, and distributed parameter models for mammalian cardiovascular development with mechanically, pharmacologically, or genetically altered conditions. (C) 2000 Elsevier Science Ireland Ltd. All rights reserved.

关键词： chick embryo cardiovascular development Windkessel model computer algorithm ordinary differential equation

来源：评论

学校读者我要写书评

暂无评论

ROBUST CONTROLLER-DESIGN USING FREQUENCY-DOMAIN CONSTRAINTS

引用

JOURNAL OF GUIDANCE CONTROL AND DYNAMICS 1987年第2期10卷 158-165页

作者： HEFNER, RD MINGORI, DL UNIV CALIF LOS ANGELES DEPT MECH AEROSP & NUCL ENGNLOS ANGELESCA 90024

This paper describes a method for designing a controller with improved robustness with respect to truncated flexible modes. The approach involves minimization of a quadratic performance index subject to constraints in the frequency domain. The frequency domain criteria are chosen so as to sufficiently attenuate the high frequency response of the full dynamic system while attempting to maintain the overall performance of the closed-loop system. The resulting constraint relationships are cast into a functional minimization framework and parameter optimization techniques are used to determine the solution. (Author)

关键词： Frequency Response Closed Loop Transfer Function Large Space Structures Ballistics Single Input Single Output System Optimal Control Finite Element Method computer algorithm Riccati Equations Feedback Control

来源：评论

学校读者我要写书评

暂无评论

SEARCHING OPTIMAL DESIGNS IN THE PRESENCE OF SERIALLY CORRELATED ERRORS

引用

BIOMETRICAL JOURNAL 1988年第5期30卷 615-625页

作者： ZERGAW, G UNIV KENT SCH MATH STUDIES DEPT STAT CANTERBURY CT2 7NF KENT ENGLAND

Based on simple updating formulae, a computer algorithm for searching optimal designs when the errors are believed to be serially correlated in the one-dimensional situation is described. The performance of the design... 详细信息

关键词： computer algorithm Grow Neighbour‐Count matrix Optimal criterion Optimal design Seed design Serial Correlation Squeeze

来源：评论

学校读者我要写书评

暂无评论

NOVEL NONITERATIVE LOAD FLOW FOR VOLTAGE CONTINGENCY ANALYSIS

引用

INTERNATIONAL JOURNAL OF ELECTRICAL POWER & ENERGY SYSTEMS 1994年第1期16卷 11-16页

作者： SINGH, SN KALRA, PK SRIVASTAVA, SC [a] UPSEB Study Cell IIT Kanpur India [b] Department of Electrical Engineering IIT Kanpur India

This paper reports on the development of new linearized AC load flow models based on a novel approach. The load flow models have been developed based on the principle of linearizing nonlinear power flow equations around complete operating range by minimizing the square and integral square errors. The new methods involve the direct solution of linear simultaneous power flow equations and thus are non-iterative in nature. The performance of the proposed linearized models have been tested on IEEE 14-bus and IEEE 30-bus systems and an 89-bus Indian system for analysing both a base case and contingency cases. Their results are compared with the exact load flow and some of the existing approximate load flow solutions. The proposed linearized load flow models are found to be extremely fast and much more accurate, especially for voltage magnitude prediction, than other existing linearized and approximate models. It is envisaged that the new models have great potential for on-line applications in power system studies and contingency simulation for voltage security evaluation.

关键词： LINEARIZED LOAD FLOW CONTINGENCY ANALYSIS VOLTAGE SECURITY REAL-TIME APPLICATIONS computer algorithm

来源：评论

学校读者我要写书评

暂无评论

Incidence rates of hospital-acquired urinary tract and bloodstream infections generated by automated compilation of electronically available healthcare data

引用

JOURNAL OF HOSPITAL INFECTION 2015年第3期91卷 231-236页

作者： Redder, J. D. Leth, R. A. Moller, J. K. Lillebaelt Hosp Dept Clin Microbiol DK-7100 Vejle Denmark Univ So Denmark Inst Reg Hlth Res Odense Denmark Aarhus Univ Hosp Dept Clin Microbiol Aarhus Denmark

Background: Monitoring of hospital-acquired infection (HAI) by automated compilation of registry data may address the disadvantages of laborious, costly and potentially subjective and often random sampling of data by manual surveillance. Aim: To evaluate a system for automated monitoring of hospital-acquired urinary tract (HA-UTI) and bloodstream infections (HA-BSI) and to report incidence rates over a five-year period in a Danish hospital trust. Methods: Based primarily on electronically available data relating to microbiology results and antibiotic prescriptions, the automated monitoring of HA-UTIs and HA-BSIs was validated against data from six previous point-prevalence surveys (PPS) from 2010 to 2013 and data from a manual assessment (HA-UTI only) of one department of internal medicine from January 2010. Incidence rates (infections per 1000 bed-days) from 2010 to 2014 were calculated. Findings: Compared with the PPSs, the automated monitoring showed a sensitivity of 88% in detecting UTI in general, 78% in detecting HA-UTI, and 100% in detecting BSI in general. The monthly incidence rates varied between 4.14 and 6.61 per 1000 bed-days for HA-UTI and between 0.09 and 1.25 per 1000 bed-days for HA-BSI. Conclusion: Replacing PPSs with automated monitoring of HAIs may provide better and more objective data and constitute a promising foundation for individual patient risk analyses and epidemiological studies. Automated monitoring may be universally applicable in hospitals with electronic databases comprising microbiological findings, admission data, and antibiotic prescriptions. (C) 2015 The Healthcare Infection Society. Published by Elsevier Ltd. All rights reserved.

关键词： Bloodstream infection computer algorithm Electronic registry Healthcare data Hospital-acquired infection Urinary tract infection

来源：评论

学校读者我要写书评

暂无评论

Morphological Classification of the Zygomatic Regions in Young Chinese Han Males and Females Based on a Simulated Moire Pattern

引用

FACIAL PLASTIC SURGERY 2020年第3期36卷 281-289页

作者： Wang, Guanhuier Chen, Lujia Feng, Ning Wu, Siqiao Zhao, Jianfang Li, Dong Peking Univ Third Hosp Dept Plast & Reconstruct Surg 49 Huayuan Rd Beijing 100191 Peoples R China

The complex curved contours of the zygomatic regions are difficult to analyze. Therefore, a better evaluation medium must be developed. We aimed to examine and summarize the morphological characteristics of the zygomatic region by using a moire pattern map and computer algorithm. In this cross-sectional study, we collected three-dimensional images of the facial contours of 251 Han Chinese youth and established a morphological moire map database. Clustering analysis using a computer algorithm was applied to obtain the zygomatic morphologies for classification. Aesthetic evaluation was performed to summarize the characteristics of the zygomatic types and provide reference for the preoperative morphological design of the midface. Zygomatic regions were morphologically classified into five types. Each type had its typical feature in the moire pattern map. The moire stripes in the left zygomatic region formed an "omega" shape outward and downward in type 1, and they tended to be diagonal like "\\\" in type 2, smoothly curved like ")))" in type 3, vertical like "|||" in type 4, and diagonal like "///" in type 5. The aesthetic evaluation outcome indicated that the integrally flat zygoma (type 4) was more aesthetically pleasing among males, and the integrally prominent zygoma (type 3) was more aesthetically pleasing among females. Five morphological contour types of the zygoma were classified among the Chinese Han males and females based on the simulated moire pattern. This morphological classification would aid in preparing a guide for clinical diagnosis and surgical planning.

关键词： three-dimensional anthropometry zygomatic moire pattern computer algorithm

来源：评论

学校读者我要写书评

暂无评论

Measuring optimal connections in large networks: A new algorithm and its applications

引用

JOURNAL OF MATHEMATICAL SOCIOLOGY 2004年第3期28卷 197-213页

作者： Yang, S Hexmoor, H Univ Arkansas Dept Sociol Fayetteville AR 72701 USA Univ Arkansas Dept Comp Sci & Engn Fayetteville AR 72701 USA

Researchers have identified several problems in measuring the strongest path connecting pairs of actors in valued graphs. To address these problems, it has been proposed that average path value be used to indicate optimal connections between dyads. However, a lack of proper computer algorithm and its implementation has hindered a wide-range application of the proposed solution. In this paper we develop a computer algorithm and fully implement it with four JAVA programs, which are available on request. These programs produce an optimal connection matrix, which is subsequently inputted into UCINET for further multidimensional scaling and clustering analysis. We demonstrate this procedure with a data matrix containing 38 organizations in information technology. We discuss the methodological implications of the application of our algorithm to future social network studies.

关键词： graph theory average path value computer algorithm valued graph

来源：评论

学校读者我要写书评

暂无评论

Comparison of QT Correction Methods in the Pediatric Population of a Community Hospital: A Retrospective Study

引用

Congenital Heart Disease 2024年第1期19卷 107-121页

作者： Koren Hyogene Kwag Ibrahim Kak Ying Li Walid Khass Alec McKechnie Oksana Nulman Brande Brown Manoj Chhabra Department of Pediatrics New York Presbyterian Brooklyn Methodist HospitalBrooklyn11215USA Department of Population Health Sciences Division of BiostatisticsWeill Cornell MedicineNew York10065USA

Objective:Accurate measurement of QT interval,the ventricular action potential from depolarization to repolarization,is important for the early detection of Long QT *** most effective QT correction(QTc)formula has yet to be determined in the pediatric population,although it has intrinsically greater extremes in heart rate(HR)and is more susceptible to errors in *** authors of this study compare six dif-ferent QTc methods(Bazett,Fridericia,Framingham,Hodges,Rautaharju,and a computer algorithm utilizing the Bazett formula)for consistency against variations in HR and RR ***:Descriptive Retrospective *** included participants from a pediatric cardiology practice of a community hospital who had an ECG performed in *** participants were healthy patients with no past medical history and no regular ***:ECGs from 95 participants from one month to 21 years of age(mean 9.7 years)were included with a mean HR of 91 beats per minute(bpm).The two-sample paired t-test or Wilcoxon signed-rank test assessed for any difference between QTc methods.A statistically signiﬁcant difference was observed between every combination of two QTc *** Spearman’s rank correlation analysis explored the QTc/HR and QTc/RR relationships for each *** method was most independent of HR and RR with the lowest absolute value of correlation coefﬁ*** and computer had moderate correlations,while Framingham and Rautaharju exhibited strong *** were positive for Bazett and computer,reﬂecting results from prior studies demonstrating an over-correction of Bazett at higher *** the linear QTc/HR regression analysis,Bazett had the slope closest to zero,although computer,Hodges,and Fridericia had comparable ***,Fridericia had the linear QTc/RR regression coefﬁcient closest to *** Bland-Altman method assessed for bias and the limits of agreement between correction *** an

关键词： Corrected QT interval QT prolongation long QT syndrome electrocardiogram retrospective study bazett fridericia framingham hodges rautaharju computer algorithm

来源：评论

学校读者我要写书评

暂无评论

Reduced electrode arrays for the automated detection of rhythmic and periodic patterns in the intensive care unit: Frequently tried, frequently failed?

引用

CLINICAL NEUROPHYSIOLOGY 2017年第8期128卷 1524-1531页

作者： Herta, J. Koren, J. Fuerbass, F. Hartmann, M. Gruber, A. Baumgartner, C. Med Univ Vienna Dept Neurosurg Wahringer Gurtel 18-20 A-1090 Vienna Austria Gen Hosp Hietzing Neurol Ctr Rosenhuegel Karl Landsteiner Inst Clin Epilepsy Res & Cognit Neurol Dept 2 Vienna Austria AIT Austrian Inst Technol GmbH Digital Safety & Secur Dept Vienna Austria Sigmund Freud Univ Dept Epileptol & Clin Neurophysiol Vienna Austria

Objective: To investigate the effect of systematic electrode reduction from a common 10-20 EEG system on pattern detection sensitivity (SEN). Methods: Two reviewers rated 17130 one-minute segments of 83 prospectively recorded cEEGs according to the ACNS standardized critical care EEG terminology (CCET), including burst suppression patterns (BS) and unequivocal electrographic seizures. Consensus annotations between reviewers were used as a gold standard to determine pattern detection SEN and specificity (SPE) of a computational algorithm (baseline, 19 electrodes). Electrodes were than reduced one by one in four different variations. SENs and SPEs were calculated to determine the most beneficial assembly with respect to the number and location of electrodes. Results: High automated baseline SENs (84.99-93.39%) and SPEs (90.05-95.6%) were achieved for all patterns. Best overall results in detecting BS and CCET patterns were found using the "hairline + vertex" montage. While the "forehead + behind ear" montage showed an advantage in detecting ictal patterns, reaching a 15% drop of SEN with 10 electrodes, all montages could detect BS sufficiently if at least nine electrodes were available. Conclusion: For the first time an automated approach was used to systematically evaluate the effect of electrode reduction on pattern detection SEN in cEEG. Significance: Prediction of the expected detection SEN of specific EEG patterns with reduced EEG montages in ICU patients. (C) 2017 International Federation of Clinical Neurophysiology. Published by Elsevier Ireland Ltd. All rights reserved.

关键词： Epileptic seizure detection Prospective multi-center study Continuous EEG Intensive care unit computer algorithm

来源：评论

学校读者我要写书评

暂无评论

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案：

请选择收藏分类：

通借通还

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：