检索结果-内蒙古大学图书馆

IEEE International Symposium on Electromagnetic Compatibility, EMC 2007

作者： Ahmed, Iftikhar Li, Er-Ping IEEE EM Division Engineering Software and Applications Institute of High Performance Computing Singapore 117528 Singapore

ISBN: (纸本)1424413508

In this paper, convolutional perfectly matched layer (CPML) is developed for the recently proposed error reduced (ER) ADI-FDTD method to solve electromagnetic compatibility problems efficiently. Its numerical results are examined and compared with the conventional ADI-CPML method. It is found that for a CFL number equal to 5, the reflection error of the ER-ADI-CPML is approximately 12 dB better than the conventional ADI-CPML method. © 2007 IEEE.

关键词： Errors

来源：评论

学校读者我要写书评

暂无评论

Developing muscarinic receptor M1 classification models utilizing transfer learning and generative AI techniques

引用

Scientific Reports 2025年第1期15卷 1-12页

作者： Dey, Souvik Wallqvist, Anders AbdulHameed, Mohamed Diwan M. Department of Defense Biotechnology High Performance Computing Software Applications Institute Defense Health Agency Research and Development Medical Research and Development Command 504 Scott Street Fort Detrick 21702-5012 MD United States The Henry M. Jackson Foundation for the Advancement of Military Medicine Inc. Bethesda MD United States

Muscarinic receptor subtype 1 (M1) is a G protein-coupled receptor (GPCR) and a key pharmacological target for peripheral neuropathy, chronic obstructive pulmonary disease, nerve agent exposures, and cognitive disorders. Screening and identifying compounds with potential to interact with M1 will aid in rational drug design for these disorders. In this work, we developed machine learning-based M1 classification models utilizing publicly available bioactivity data. As inactive compounds are rarely reported in the literature, we encountered the problem of imbalanced datasets. We investigated two strategies to overcome this bottleneck: 1) transfer learning and 2) using generative models to oversample the inactive class. Our analysis shows that these approaches reduced misclassification of the inactive class not only for M1 but also for other GPCR targets. Overall, we have developed classification models for M1 receptor that will enable rapid screening of large chemical databases and advance drug discovery. © This is a U.S. Government work and not under copyright protection in the US;foreign copyright protection may apply 2025.

关键词：

来源：评论

学校读者我要写书评

暂无评论

On the impact ionization in double-gate MOSFET using full band monte carlo method

On the impact ionization in double-gate MOSFET using full ba...

引用

2008 8th IEEE Conference on Nanotechnology, IEEE-NANO

作者： Bai, Ping Chang, Ken Kajen, R.S. Li, Erping Samudra, Ganesh Engineering Software and Applications Institute of High Performance Computing Singapore Department of Electrical and Computer Engineering National University of Singapore Singapore

ISBN: (纸本)9781424421046

We predict the impact ionization in a 13nm gate length double-gate MOSFET structures using full-band self-consistent ensemble Monte Carlo method with quantum correction. The effects of various design parameters such as gate oxide thickness, body thickness and channel length on the impact ionization onset voltages are investigated. The studies show that the reduction of channel length reduction remains as the major contributor to the impact ionization phenomena. On analyzing the distribution of impact ionization events in the structure, impact ionization induced hot carrier activity is shown to be largely confined to the channel-drain interface region. This allows for possible gate oxide hot carriers reliability issues to be greatly reduced through an optimal design. © 2008 IEEE.

关键词： Monte Carlo methods

来源：评论

学校读者我要写书评

暂无评论

Antennae polarization for effective transmission of UWB signal around human body

Antennae polarization for effective transmission of UWB sign...

引用

2007 IEEE International Conference on Ultra-Wideband, ICUWB

作者： Lim, Hooi Been Baumann, Dirk Cai, James Koh, Ruiqi Li, Er Ping Lu, Yilong Engineering Software and Applications Institute of High Performance Computing Singapore Singapore School of Electrical and Electronic Engineering Nanyang Technological University Singapore Singapore

ISBN: (纸本)1424405211

Ultra wideband (UWB) is an emerging technology with promising applications in wireless body area networks (WBANs). Detailed understanding of the propagation mechanism of UWB signal around human body is essential for the development of wearable sensors. However there are currently limited studies describing UWB signal propagation around human body. In this paper, the favorable antennae polarization for effective transmission of signal to receiver is investigated through numerical simulations. The results showed that antennae oriented in perpendicular polarization with respect to body surface provide a lower path loss as compared to horizontal polarization. © 2007 IEEE.

关键词： Polarization

来源：评论

学校读者我要写书评

暂无评论

Models of parallel computation :a survey and classification

引用

中国高等学校学术文摘·计算机科学 2007年第2期1卷 156-165页

作者： ZHANG Yunquan CHEN Guoliang SUN Guangzhong MIAO Qiankun Laboratory of Parallel Computing Institute of SoftwareChinese Academy of SciencesBeijing 100080China State Key Laboratory of Computer Science Institute of SoftwareChinese Academy of SciencesBeijing 100080China Anhui Province-MOST Key Co-Lab of High Performance Computing and Its Applications Department of Computer Science and TechnologyUniversity of Science and Technology of ChinaHefei 230027China

In this paper,the state-of-the-art parallel computational model research is *** will introduce various models that were developed during the past *** to their targeting architecture features,especially memory organization,we classify these parallel computational models into three *** models and their characteristics are discussed based on three generations *** believe that with the ever increasing speed gap between the CPU and memory systems,incorporating non-uniform memory hierarchy into computational models will become *** the emergence of multi-core CPUs,the parallelism hierarchy of current computing platforms becomes more and more *** this complicated parallelism hierarchy in future computational models becomes more and more important.A semi-automatic toolkit that can extract model parameters and their values on real computers can reduce the model analysis complexity,thus allowing more complicated models with more parameters to be *** memory and hierarchical parallelism will be two very important features that should be considered in future model design and research.

关键词： parallel computational models hierarchicalmemory hierarchical parallelism three generations memorymodel

来源：评论

学校读者我要写书评

暂无评论

Structure-based pKa prediction provides a thermodynamic basis for the role of histidines in pH-induced conformational transitions in dengue virus

引用

Biochemistry and Biophysics Reports 2015年 4卷 375-385页

作者： Chaudhury, Sidhartha Ripoll, Daniel R. Wallqvist, Anders Department of Defense Biotechnology High Performance Computing Software Applications Institute Telemedicine and Advanced Technology Research Center U.S. Army Medical Research and Materiel Command Ft. Detrick 21702 MD United States

pH-induced conformational changes in dengue virus (DENV) are critical to its ability to infect host cells. The envelope protein heterodimers that make up the viral envelope shift from a dimer to a trimer conformation at low-pH during membrane fusion. Previous studies have suggested that the ionization of histidine residues at low-pH is central to this pH-induced conformational change. We sought out to use molecular modeling with structure-based pKa prediction to provide a quantitative basis for the role of histidines in pH-induced conformational changes and identify which histidine residues were primarily responsible for this transition. We combined existing crystallographic and cryo-electron microscopy data to construct templates of the dimer and trimer conformations for the mature and immature virus. We then generated homology models for the four DENV serotypes and carried out structure-based pKa prediction using Rosetta. Our results showed that the pKa values of a subset of conserved histidines in DENV successfully capture the thermodynamics necessary to drive pH-induced conformational changes during fusion. Here, we identified the structural determinants underlying these pKa values and compare our findings with previous experimental results. © 2015.

关键词： Flavivirus Histidine PKa shift Viral fusion

来源：评论

学校读者我要写书评

暂无评论

Exploring polypharmacology using a ROCS-based target fishing approach

Exploring polypharmacology using a ROCS-based target fishing...

引用

作者： Abdulhameed, Mohamed Diwan M. Chaudhury, Sidhartha Singh, Narender Sun, Hongmao Wallqvist, Anders Tawa, Gregory J. Biotechnology High Performance Computing Software Applications Institute Telemedicine and Advanced Technology Research Center U.S. Army Medical Research and Materiel Command Fort Detrick MD 21702 United States

Polypharmacology has emerged as a new theme in drug discovery. In this paper, we studied polypharmacology using a ligand-based target fishing (LBTF) protocol. To implement the protocol, we first generated a chemogenomic database that links individual protein targets with a specified set of drugs or target representatives. Target profiles were then generated for a given query molecule by computing maximal shape/chemistry overlap between the query molecule and the drug sets assigned to each protein target. The overlap was computed using the program ROCS (Rapid Overlay of Chemical Structures). We validated this approach using the Directory of Useful Decoys (DUD). DUD contains 2950 active compounds, each with 36 property-matched decoys, against 40 protein targets. We chose a set of known drugs to represent each DUD target, and we carried out ligand-based virtual screens using data sets of DUD actives seeded into DUD decoys for each target. We computed Receiver Operator Characteristic (ROC) curves and associated area under the curve (AUC) values. For the majority of targets studied, the AUC values were significantly better than for the case of a random selection of compounds. In a second test, the method successfully identified off-targets for drugs such as rimantadine, propranolol, and domperidone that were consistent with those identified by recent experiments. The results from our ROCS-based target fishing approach are promising and have potential application in drug repurposing for single and multiple targets, identifying targets for orphan compounds, and adverse effect prediction. © 2011 American Chemical Society.

关键词： Ligands

来源：评论

学校读者我要写书评

暂无评论

BPS2025 - A cross-bridge cycling model for understanding the role of metabolite accumulation in skeletal muscle fatigue

引用

Biophysical Journal 2025年第3期124卷 598a-598a页

作者： John I. Hendry Muhammet E. Erol Gwenael Layec Edward P. Debold Shivendra G. Tewari Anders Wallqvist Venkat R. Pannala The Henry M. Jackson Foundation for the Advancement of Military Medicine Inc. Bethesda MD USA Department of Kinesiology University of Massachusetts Amherst Amherst MA USA School of Health and Kinesiology University of Nebraska Omaha NE USA Department of Defense Biotechnology High Performance Computing Software Applications Institute U.S. Army Medical Research and Development Command Fort Detrick MD USA

来源：评论

学校读者我要写书评

暂无评论

Introduction to the smoothed particle hydrodynamics method in electromagnetics

Introduction to the smoothed particle hydrodynamics method i...

引用

International Zurich Symposium on Electromagnetic Compatibility (EMC Zurich)

作者： Gi-Ho Park Klaus Krohne Er Ping Li Engineering Software and Applications Institute of High Performance Computing Singapore

The smoothed particle hydrodynamics (SPH) method is a mesh-free method that is characterized by an easy adaptability and an ability to track moving particles. In this paper, the fundamentals of SPH and its corrective smoothed particle method (CSPM) are introduced in detail and those two are compared in terms of consistency. The CSPM formulation for electromagnetics in time domain (SPEM) is presented and an investigation of the effect of particle distribution on the accuracy of SPEM is carried out. The results are compared to those of a finite difference time domain solution and analytic one. It is found that SPEM has a high potential in computational electromagnetics, and that consistency restoring is required for irregular particle distributions.

关键词： Special issues and sections Hydrodynamics Kernel Finite difference methods Time domain analysis Interpolation Computational electromagnetics Numerical simulation Transient analysis Erbium

来源：评论

学校读者我要写书评

暂无评论

Study on Parallel computing

引用

Journal of Computer Science & Technology 2006年第5期21卷 665-673页

作者：陈国良孙广中张云泉莫则尧 Anhui Province-MOST Key Co-Lab of High Performance Computing and Its Applications Department of Computer Science and Technology University of Science and Technology of China Hefei 230027 P.R. China Laboratory of Parallel Computing Institute of Software Chinese Academy of Sciences Beijing 100080 P.R. China Laboratory of Computational Physics Institute of Applied Physics and Computational Mathematics Beijing 100088 P.R. China

In this paper, we present a general survey on parallel computing. The main contents include parallel computer system which is the hardware platform of parallel computing, parallel algorithm which is the theoretical base of parallel computing, parallel programming which is the software support of parallel computing. After that, we also introduce some parallel applications and enabling technologies. We argue that parallel computing research should form an integrated methodology of ＂architecture algorithm programming application＂. Only in this way, parallel computing research becomes continuous development and more realistic.

关键词： parallel computing parallel architecture parallel programming parallel algorithm parallel application

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：