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Physicochemical bases for protein folding,dynamics,and protein-ligand binding

science China(Life sciences) 2014年第5期57卷 287-302页

作者： LI HuiMin XIE YueHui LIU CiQuan LIU ShuQun School of Mathematics and Computer Science Yunnan University of Nationalities Laboratory for Conservation and Utilization of Bio-Resources & Key Laboratory for Microbial Resources of Ministry of Education Yunnan University Teaching and Research Section of Computer Department of Basic MedicalKunming Medical University Southwest Biological Diversity Laboratory Kunming Branch of Chinese Academy of Sciences Key Laboratory for Animal Genetic Diversity and Evolution of High Education in Yunnan Province

Proteins are essential parts of living organisms and participate in virtually every process within cells. As the genomlc sequences for increasing number of organisms are completed, research into how proteins can perform such a variety of functions has become much more intensive because the value of the genomic sequences relies on the accuracy of understanding the encoded gene products. Although the static three-dimensional structures of many proteins are known, the functions of proteins are ulti- mately governed by their dynamic characteristics, including the folding process, conformational fluctuations, molecular mo- tions, and protein-ligand interactions. In this review, the physicochemical principles underlying these dynamic processes are discussed in depth based on the free energy landscape （FEL） theory. Questions of why and how proteins fold into their native conformational states, why proteins are inherently dynamic, and how their dynamic personalities govern protein functions are answered. This paper will contribute to the understanding of structure-function relationship of proteins in the post-genome era of life science research.

关键词： free energy landscape entropy-enthalpy non-complementarity ruggedness driving force thermodynamics kinetics

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Modeling of damage due to shrinkage in autoclaved aerated concrete

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AIP Conference Proceedings 2015年第1期1648卷

作者： T. Koudelka J. Kruis S. Sysala M. Vokáč *Department of Mechanics Faculty of Civil Engineering Czech Technical University in Prague Czech Republic †Institute of Geonics Academy of Sciences of the Czech Republic Department of Applied Mathematics and Computer Science Czech Republic **Klokner Institute Department of Experimental Methods Czech Technical University in Prague Czech Republic

The paper deals with numerical modeling of damage evolution in autoclaved aerated concrete (AAC) due to shrinkage. It represents coupled thermo-hydro-mechanical problem where the temperature and moisture transports are fully coupled. The mechanical problem is partially coupled with transport part because the AAC shrinkage is influenced by moisture evolution. These models were implemented to the SIFEL software package and they were used for numerical simulation of drying wall made from AAC blocks.

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Enabling location based services for hyperlocal marketing in connected vehicles

Enabling location based services for hyperlocal marketing in...

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International Conference on Connected Vehicles and Expo (ICCVE)

作者： Vishnu Narayanan Rosmi Rehman Alin Devassy Subramanian Rama Punit Ahluwalia Anand Ramachandran Department of Electronics and Communication Engineering Amrita University Department of Computer Science VU University Analog Devices Inc. Dell Inc. Department of Computer Information Systems & Quantitative Methods UT pan Am Amrita Center for Wireless Networks and Applications Amrita University

Location based services is a class of computing services that uses the consumer's location data in order to personalize and enable features and services. Services include those for mapping and tracking, emergency response and disaster management and location based advertising. Of these services, location based advertising, also knows as hyperlocal marketing, accounts for the largest market share. In this paper we provide a motivating example of a hyperlocal marketing service applicable to connected vehicles and explore communication architectures for enabling such location based services. The specific scenario we consider uses sensors to automatically detect automotive problems in an intelligent vehicle and share the information wirelessly with a hyperlocal marketing server. The server, in turn, gets a dynamically updated list of hyperlocal services from retailers which would be analyzed, filtered and delivered to the consumer wirelessly so that the consumer could avail of a suitable service to address the issue. While considering different architectures we highlight the lack of a suitable standard for vehicle-to-infrastructure communication and suggest that this area needs further study.

关键词： Servers Wireless networks Vehicles Wireless sensor networks Telematics Connected vehicles Sensors

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Modification of Density Based Spatial Clustering Algorithm for Large Database Using Naive's Bayes' Theorem

Modification of Density Based Spatial Clustering Algorithm f...

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International Conference on Communication Systems and Network Technologies (CSNT)

作者： Jitendra Agrawal Sanyogita Soni Sanjeev Sharma Shikha Agrawal University Teaching Department School of Information Technology Bhopal M.P India Department of Computer Science and Engineering University Institute of Technology Bhopal M.P India

The DBSCALE algorithms are used for clustering of very large database. The clustering techniques are very proficient and also the rate of correctness is increases, but these algorithms suffered from noise and outlier problem. The noise data and outlier decreases the performance. For the minimization of noise and outlier we modified DBSCALE algorithm using Naïve's Baye's theorem. Naïve's Baye's Theorem is basically a probability based function. This function estimate the outlier cluster data and increase the correctness rate of algorithm on according to threshold value. According to this techniques, it compute maximum posterior hypothesis for the outlier data.

关键词： Communication systems

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Chaos from the ring string in a Gauss-Bonnet black hole in AdS5 space

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Physical Review D 2014年第8期89卷 086011-086011页

作者： Da-Zhu Ma Jian-Pin Wu Jifang Zhang Department of Physics School of Science Hubei Minzu University Enshi 445000 China Department of Physics School of Mathematics and Physics Bohai University Jinzhou 121013 China Teaching and Research Institute of College Computer Bohai University Jinzhou 121013 China

By the Poincare sections, the dynamical behaviors of the ring string in the anti-de Sitter–Gauss-Bonnet black hole are studied. A threshold value of the Gauss-Bonnet parameter λ is found by the numerical method, below which the behavior of this dynamical system is nonchaotic and above which the behavior becomes gradually chaotic. The chaotic behavior becomes stronger with the increases of the Gauss-Bonnet parameter. It is different from the case in the anti-de Sitter–Schwarzschild black hole, which is weakly chaotic. Furthermore, we confirm our findings by the fast Lyapunov indicator.

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A comparison of indices for identifying the number of clusters in hierarchical clustering: A study on cognition in schizophrenia patients

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Communications in Statistics Case Studies Data Analysis and Applications 2015年第2期1卷 98-113页

作者： Islam, Md. Atiqul Alizadeh, Behrooz Z. van den Heuvel, Edwin R. Bruggeman, Richard Cahn, Wiepke de Haan, Lieuwe Kahn, René S. Meijer, Carin Myin-Germeys, Inez van Os, Jim Wiersma, Durk Department of Psychiatry Rob Giel Research Center University of Groningen University Medical Center Groningen Groningen Netherlands Department of Epidemiology University of Groningen University Medical Center Groningen Groningen Netherlands Department of Mathematics and Computer Science Eindhoven University of Technology Eindhoven Netherlands Department of Psychiatry Rudolf Magnus Institute of Neuroscience University Medical Center Utrecht Utrecht Netherlands Department of Psychiatry Academic Medical Centre University of Amsterdam Amsterdam Netherlands Department of Neuroscience Center for Contextual Psychiatry KU Leuven Leuven Belgium South Limburg Mental Health Research and Teaching Network EURON Maastricht University Medical Centre Maastricht Netherlands King's College London King's Health Partners Department of Psychosis Studies Institute of Psychiatry London United Kingdom

Finding clusters in a complex dataset is not straightforward. Different indices were developed to quantify the number of clusters. Their performances were studied using unrealistic simulations, since they were considered at low dimensions. We investigated 14 indices for eight-dimensional data using simulations based on cognition measures. We focused on hierarchical clustering with Ward’s agglomerative technique. Results indicated that Duda and Hart, Hartigan and Gap/pc were best performing. They estimated the number of clusters within ±1 with high probabilities. Duda and Hart index was most consistent, while Gap/pc and WGap/pc together made a good distinction between single and multiple clusters. © 2015, © 2015 Taylor & Francis.

关键词： Cluster analysis cluster indices hierarchical clustering homogeneous subgroups number of clusters

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Research award: Interactive information retrieval

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Bulletin of the Association for Information science and Technology 2015年第3期41卷

作者： Diane Kelly The 2014 recipient of the ASIS&T Research Award for outstanding contributions to research in information science. She is professor at the School of Information and Library Science at the University of North Carolina at Chapel Hill. Her research and teaching interests are interactive information search and retrieval information search behavior and research methods. She is the recipient of the 2013 British Computer Society's IRSG Karen Spärck Jones Award the 2009 ASIS&T/Thomson Reuters Outstanding Information Science Teacher Award and the 2007 SILS Outstanding Teacher of the Year Award

EDITOR'S SUMMARY Diane Kelly progressed from having no idea of information science as a field of inquiry to receiving the 2014 ASIS&T Research Award for her outstanding contributions to the field. Through an early library science course, Kelly met information science scholars and soon started her journey researching interactive information retrieval, search behavior, search interfaces and research methods. She became one of the “user study people” when few in the information retrieval community thought about the search process. Kelly appreciates starting her studies before Google's search box and blinking cursor became pervasive and realizing the wealth of ideas predating Google that are worthy of renewed investigation. She expressed concern that information seeking may become passive receipt of preformed information. In her further research, Kelly hopes to shed more light on the process of search and success metrics.

关键词： information science scholars honors information seeking interactive systems human computer interaction

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Multi-core emptiness checking of timed Büchi automata using inclusion abstraction

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25th International Conference on computer Aided Verification, CAV 2013

作者： Laarman, Alfons Olesen, Mads Chr. Dalsgaard, Andreas Engelbredt Larsen, Kim Guldstrand Van De Pol, Jaco Formal Methods and Tools University of Twente Netherlands Department of Computer Science Aalborg University Denmark

ISBN: (纸本)9783642397981

This paper contributes to the multi-core model checking of timed automata (TA) with respect to liveness properties, by investigating checking of TA Büchi emptiness under the very coarse inclusion abstraction or zone subsumption, an open problem in this field. We show that in general Büchi emptiness is not preserved under this abstraction, but some other structural properties are preserved. Based on those, we propose a variation of the classical nested depth-first search (ndfs) algorithm that exploits subsumption. In addition, we extend the multi-core cndfs algorithm with subsumption, providing the first parallel LTL model checking algorithm for timed automata. The algorithms are implemented in LTSmin, and experimental evaluations show the effectiveness and scalability of both contributions: subsumption halves the number of states in the real-world FDDI case study, and the multi-core algorithm yields speedups of up to 40 using 48 cores. © 2013 Springer-Verlag.

关键词： Model checking

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Finite element active learning module assessment of student improvement, learning styles, gender differences and ethnic differences

Finite element active learning module assessment of student ...

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121st ASEE Annual Conference and Exposition: 360 Degrees of Engineering Education

作者： Brown, Ashland O. Jensen, Daniel D. Crawford, Richard H. Rencis, Joseph J. Sargent, Ella R. Hackett, Rachelle Kisst Jackson, Kathy Schmidt Watson, Kyle A. Orabi, Ismail I. Liu, Jiancheng Wood, John J. Wejmar, Christopher Allen Schimpf, Paul Henry Chen, Chuan-Chiang Dept. of Mechanical Engineering School of Engineering and Computer Science University of Pacific United States Dept. of Engineering Mechanics United States Air Force Academy United States Dept. of Mechanical Engineering University of Texas Austin United States Dept. of Engineering Leadership Tennessee Technological University United States University of Pacific United States Schreyer Institute for Teaching Excellence Pennsylvania State University University Park United States University of New Haven United States Dept. of Mechanical Engineering University of Pacific United States School of Engineering and Computer Science University of Pacific United States Eastern Washington University United States Dept. of Mechanical Engineering Department California State Polytechnic University Pomona United States

The landscape of contemporary engineering education is ever changing, adapting and evolving. As an example, finite element theory and application has often been included in graduate-level courses in engineering programs;however, current industry needs bachelor's-level engineering graduates with skills in applying this essential analysis and design technique. Engineering education is also changing to include more active learning. In response to the need to introduce undergrads to the finite element method as well as the need for engineering curricula to include more active learning, we have developed, implemented and assessed a suite of Active Learning Module (ALMs).The ALMs are designed to improve student learning of difficult engineering concepts while students gain essential knowledge of finite element analysis. As such, the ALMs guide the students through a process using commercial finite element software to solve a problem (or set of problems) in a particular area of engineering. Some overview of finite element theory is included. The active learning occurs when the students interact with the physics of the problem by developing and perturbing the model of the problem. Additional active learning is sometimes included through collaborative exercises using the ALM. We have used the Kolb Learning Cycle as a conceptual framework to guide our design of the ALMs. Originally developed using MSC Nastran, followed by development efforts in SolidWorks Simulation, ANSOFT, ANSYS, and other commercial FEA software packages, a team of researchers, with National science Foundation support, have created over twenty-eight active learning modules. We will discuss the implementation of these learning modules which have been incorporated into undergraduate courses that cover topics such as machine design, mechanical vibrations, heat transfer, bioelectrical engineering, electromagnetic field analysis, structural fatigue analysis, computational fluid dynamics, rocket design, chip for

关键词： Students

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Incremental knowledge compilation using the extension rule

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Journal of Networks 2013年第10期8卷 2241-2246页

作者： Liu, Ying Gu, Wenxiang Zou, Tingting Huang, Qingtao Li, Qiao College of Humanities and Science Northeast Normal University Changchun 130117 China Department of Basic Subjects Teaching Changchun Architecture and Civil Engineering College Changchun 130607 China College of Computer Science and Technology Jilin University Changchun 130012 China School of Computer Science and information technology Northeast Normal University Changchun 130117 China

Knowledge compilation by using the extension rule (KCER) has been recognized as a novel compilation approach, although this method can only deal with static knowledge bases. This paper proposes a novel incremental knowledge compilation method by using the extension rule so that it can tackle knowledge compilation problems in the dynamic environment. The method does not recompile the whole knowledge base, while it is to use the information of compiling original knowledge base to speed up the compiling process. The experimental results show that this method can deal with dynamic knowledge bases efficiently. © 2013 ACADEMY PUBLISHER.

关键词： Knowledge based systems

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