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Dissertations / Theses on the topic 'Computer Assisted Drug Designing'

Author: Grafiati

Published: 3 June 2025

Last updated: 31 July 2025

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1

Lundborg, Magnus. "Computer-Assisted Carbohydrate Structural Studies and Drug Discovery." Doctoral thesis, Stockholms universitet, Institutionen för organisk kemi, 2011. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-56411.

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Carbohydrates are abundant in nature and have functions ranging from energy storage to acting as structural components. Analysis of carbohydrate structures is important and can be used for, for instance, clinical diagnosis of diseases as well as in bacterial studies. The complexity of glycans makes it difficult to determine their structures. NMR spectroscopy is an advanced method that can be used to examine carbohydrates at the atomic level, but full assignments of the signals require much work. Reliable automation of this process would be of great help. Herein studies of Escherichia coli O-an

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2

Bayatpour, Mohammadreza. "Designing High Performance Hardware-assisted Communication Middlewares for Next-Generation HPC Systems." The Ohio State University, 2021. http://rave.ohiolink.edu/etdc/view?acc_num=osu1619140614941402.

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3

Deanda, Felix. "Development and application of software tools for computer-assisted drug design /." Digital version accessible at:, 1999. http://wwwlib.umi.com/cr/utexas/main.

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4

Lee, Shine-Der. "A methodology for designing a class of advanced manufacturing systems." Diss., Georgia Institute of Technology, 1992. http://hdl.handle.net/1853/24347.

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5

Yang, Chia-Shing. "Theories, templates, and tools for designing and developing instructional hypermedia systems." Diss., This resource online, 1994. http://scholar.lib.vt.edu/theses/available/etd-06062008-170327/.

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6

Bower, Matthew. "Designing for interactive and collaborative learning in a web-conferencing environment." Phd thesis, Australia : Macquarie University, 2008. http://hdl.handle.net/1959.14/26888.

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Thesis (PhD)--Macquarie University, Division of Information and Communication Sciences, Computing Department, 2008.<br>Bibliography: p. 503-514.<br>This study investigated learning design in a web-conferencing environment based on three semesters of lessons conducted as part of an introductory programming subject. As well as characterizing the nature of discourse and interaction, the study focused on how the design of the interface, activity and task type affected collaboration and learning. Engeström's (1987) Activity Theory based upon a socio-constructivist view of learning was used to fram

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Amaral, Luiz A. "Designing intelligent language tutoring systems for integration into foreign language instruction." The Ohio State University, 2007. http://rave.ohiolink.edu/etdc/view?acc_num=osu1179979688.

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8

Stott, Debbie. "A framework for evaluating instructional design models resulting in a model for designing and developing computer based learning tools with GIS technologies." Thesis, Rhodes University, 2005. http://hdl.handle.net/10962/d1003430.

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With the increasing pressures and concerns in education regarding capability, lifelong learning, higher order cognitive skills, transdisciplinary education and so on, educators are seeking fresh ways to teach and new tools to support that teaching. In South Africa, Outcomes Based Education (OBE) has identified critical outcomes (skills) across all subject areas such as problem solving, teamwork, fostering critical thinking etc. as a way of responding to these pressures and concerns. But OBE has been criticised for lacking the necessary tools to develop these critical skills and to promote cros

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9

Ramondt, Leonie. "The experience of flow and learning by designing interactive multimedia software." Thesis, Edith Cowan University, Research Online, Perth, Western Australia, 1998. https://ro.ecu.edu.au/theses/1007.

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As computer technology is increasingly adopted in education, some students continue to have little context for its use. This is particularly true of tertiary drama education students, of whom many still remain computer illiterate. Constructivist pedagogy proposes that a learner constructs knowledge through active participation in their learning. An approach that is gaining currency which applies this principle is learning by designing. This approach was adopted for this study, with the premise that the process of designing multimedia software for their peers would not only motivate these stude

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10

Zhang, Yong. "Designing and implementing the Student Online Project Planning and Tracking System : students and faculty evaluation of the SOPPTS software." Virtual Press, 2002. http://liblink.bsu.edu/uhtbin/catkey/1238740.

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The purposes of this study were to design and to evaluate an online system designed to enhance communication skills and project tracking of computer software courses at Ball State University (BSU). Student Online Project Planning and Tracking System (SOPPTS) was designed and field tested to provide real-time feedback from faculty on student progress, offer online guidance for software project planning, produce tracking automation, and facilitate communication between faculty and students.SOPPTS technology was designed under the supervision of W. Zage and D. Zage, professors in the Computer Sci

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11

Crotti, Simone. "Computer assisted synthesis and in-vitro cytotoxic evaluation of new pyrazole-fused isoquinolinoquinones derivatives as PI3K receptor antagonist with promising antitumoral activity." Master's thesis, Alma Mater Studiorum - Università di Bologna, 2016. http://amslaurea.unibo.it/11206/.

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The importance of pyrazole and isoquinoline-5,8-dione scaffolds in medical chemistry is underlined by the high number of drugs currently on trading that contains these active ingredients. Due to their cytotoxic capability, the interest of medicinal chemists in these heterocyclic rings has grown exponentially especially, for cancer therapy. In this project, the first synthesis of pyrazole-fused isoquinoline-5,8-diones has been developed. 1,3-Dipolar cycloaddition followed by oxidative aromatization, established by our research group, has been employed. Screening of reaction conditions and chara

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12

Curtis, Kelley. "Designing Interactive Multimedia for the Anthropology Exhibit Gallery." [Tampa, Fla. : s.n.], 2003. http://purl.fcla.edu/fcla/etd/SFE0000079.

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13

Hatter, Alicia Nicole. "Levelling Up: Designing and Testing a Contextual, Web-based Dreamweaver 8 Tutorial for Students with Technological Aptitude Differences." unrestricted, 2007. http://etd.gsu.edu/theses/available/etd-08202007-163527/.

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Thesis (M.A.)--Georgia State University, 2007.<br>Title from file title page. Jennifer L. Bowie, committee chair; George Pullman, Elizabeth Lopez, committee members. Electronic text (160 p. : col. ill.) : digital, PDF file. Description based on contents viewed Mar. 27, 2008 . Includes bibliographical references (p. 149-152).

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14

Galle, Thor. "Designing and using gamification elements to improve students’ user experience in a video-based mobile language learning app." Thesis, KTH, Skolan för elektroteknik och datavetenskap (EECS), 2020. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-280575.

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With the rise of the smartphone industry, the domain of mobile-assisted language learning (MALL) has increasingly grown. A large number of language learning applications have been developed aiming to support individuals’ second language acquisition on various levels, e.g., by teaching vocabulary and grammar to improve reading and listening comprehension. The viability of these applications has been examined in literature and shows overall positive but mixed results. On one side, their success is partly attributed to gamified design elements. These are reported to improve the user experience (U

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15

Ljungberg, Christina. "Prerequisites and Responsibility for Appropriate Prescribing - the Prescribers' View." Doctoral thesis, Uppsala universitet, Institutionen för farmaci, 2010. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-132544.

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The overall aim of this thesis was to explore aspects of the subjective views and experiences of doctors as prescribers, focusing on responsibility for and factors of importance in achieving appropriate prescribing. To provide insights into the prescriber’s perspective the study designs were qualitative. In the first studies secondary care doctors’ perceptions of appropriate prescribing and influences in prescribing were investigated in interviews. The doctors perceived that appropriate prescribing needed continuous revision. From the perspective of the prescribers the definition of prescribin

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Åstrand, Bengt. "ePrescribing : Studies in Pharmacoinformatics." Doctoral thesis, Högskolan i Kalmar, Naturvetenskapliga institutionen, 2007. http://urn.kb.se/resolve?urn=urn:nbn:se:hik:diva-32.

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Det övergripande syftet med den här avhandlingen har varit att, inom området läkemedelsinformatik, studera utvecklingen av elektroniska stöd inom läkemedelsförskrivning; för klinisk praxis, uppföljning och forskning. Under århundraden har det handskrivna receptet varit det sätt, med vilket läkare förmedlat sina läkemedelsordinationer till apotekare, vilket också för patienten blivit en informationskälla för hur läkemedel ska användas för att göra bästa nytta. Nu genomgår receptet en förändring från pappersbaserat till elektroniskt meddelande och att anpassa en traditionell process till en ny e

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17

Durán, Alcaide Ángel. "Development of high-performance algorithms for a new generation of versatile molecular descriptors. The Pentacle software." Doctoral thesis, Universitat Pompeu Fabra, 2010. http://hdl.handle.net/10803/7201.

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The work of this thesis was focused on the development of high-performance algorithms for a new generation of molecular descriptors, with many advantages with respect to its predecessors, suitable for diverse applications in the field of drug design, as well as its implementation in commercial grade scientific software (Pentacle). As a first step, we developed a new algorithm (AMANDA) for discretizing molecular interaction fields which allows extracting from them the most interesting regions in an efficient way. This algorithm was incorporated into a new generation of alignmentindependent mol

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DHANJAL, JASPREET KAUR. "COMPUTER AIDED DRUG DESIGNING FOR COMBINATORIAL IMMUNOTHERAPEUTICS." Thesis, 2013. http://dspace.dtu.ac.in:8080/jspui/handle/repository/15689.

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Cancer is one of the leading causes of adult deaths worldwide. Chemotherapy, radiation therapy, immunotherapy, hormonal therapy and surgical removal of tumors are the most common clinical approaches being used for the treatment of cancer. Today, there are more than 100 FDA approved drugs in the markets for cancer therapy. Unfortunately, the chemotherapy treatment is almost always accompanied by a varied range of short and long term adverse effects. Also the cancerous cells evolve and develop resistance against these drugs during the course of treatment to escape the process of cell death and s

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19

Fang, Yen-Wei, and 方彥維. "Designing a Computer Assisted System for Hearing Impairment." Thesis, 2007. http://ndltd.ncl.edu.tw/handle/86640463635031326618.

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碩士<br>大葉大學<br>電信工程學系碩士班<br>95<br>In the paper, we design and evaluate a computer assisted system for the hearing impaired and deaf to improve communication. The design of the hearing aid equipment in the research is focused on assisting the deaf to enhance abilities of “distinguishing” and “recognition”. The computer assisted tool is designed using the program language, MATLAB, and the graphic user interface design environment, GUIDE. The goal of the user-friendly graphic operation interface is to let the users operate the system without any difficulty, hoping that users can easily operate the

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20

LIN, MING-SHENG, and 林明聖. "Research of Drug Identification Assisted by Computer Technology." Thesis, 2018. http://ndltd.ncl.edu.tw/handle/je5w56.

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碩士<br>正修科技大學<br>資訊工程研究所<br>106<br>In recent years, due to a wide variety of drug abuses and constantly changing forms of drugs, it could easily let the suspects muddling through drug inspections if on duty police officers do not judge it carefully. This research has developed a set of quick and effective identification methods, using the cloud services provided by Google Cloud Platform, Google Drive, and MIT App Inventor 2 which is a visual programming environment and can quickly design a prototype to implement the mobile app that assists the drugs identification.

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21

Chang, Yeong-Sheng, and 張詠昇. "Computer-assisted Drug Design:Geometry Optimization and Virtual Docking of anti-cancer agents." Thesis, 2010. http://ndltd.ncl.edu.tw/handle/87668804176140401222.

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博士<br>淡江大學<br>化學學系博士班<br>98<br>Quantitative structure–activity relationship (QSAR) methods, particularly three dimensional QSAR, have been demonstrated as an effective tool in discovering novel lead compounds. And pharmacophore modeling method is one of the best 3D-QSAR methods, which has been successfully applied to the drug discovery. In an effort to establish a pharmacophore model for the inhibition of Tyrosine Kinase that could serve as a guide for the rational design of further potent and selective inhibitors. We have developed a quantitatively predictive chemical function-based pharmacop

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22

Teng, Li-Wei, and 鄧力維. "The Designing of a Document Recommendation System for Computer Assisted English Learning on the Web." Thesis, 2005. http://ndltd.ncl.edu.tw/handle/25393861516165512892.

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碩士<br>淡江大學<br>資訊工程學系碩士班<br>93<br>In this paper, we propose a Document Recommendation System on WWW for English as Second Language(ESL) learners. Actually we can say the system is a personal recommendation system for ESL learners. First, we provide the similar pages for those learners, and the similar pages that we provide can be regarded as the same theme which the pages discussed. We also record the degree of learners and use a Language Difficulty Filter(LDF) to filter out the pages which is not accord with the learner’s degree as our main component in the system. The main idea of our sy

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23

Yin, Sheng-kai, and 殷聖楷. "Designing a Computer-Assisted Learning Environment of Geometry Theorem Proving with Inquiry and Multiple Representations." Thesis, 2011. http://ndltd.ncl.edu.tw/handle/49489995493942124516.

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博士<br>國立雲林科技大學<br>工程科技研究所博士班<br>99<br>In this study, a computer-assisted learning environment MR Geo II of geometry theorem proving with inquiry and multiple representations is designed. This study consists of three parts. The first one is to develop techniques of natural language understanding for turning texts of geometry problems into dynamic geometric figures. A preliminary evaluation of the drawing toolkit showed that it produced correct dynamic geometric figures for over 90% of problems from textbooks. The drawing toolkit supports the design of computer-based scaffolding tools, which hel

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Yabg, Yi-Lin, and 楊益琳. "The Research of the Effect to Computer Assisted Instruction of Drug The Research of the Effect to Computer Assisted Instruction of Abuse Prevention Teaching in Elementary School." Thesis, 2010. http://ndltd.ncl.edu.tw/handle/66819566172343257379.

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碩士<br>國立臺北教育大學<br>生命教育與健康促進研究所<br>98<br>The purpose of this research was to develop a Computer Assisted Instructional (CAI) system for drug abuse prevention. Teach drugs abuse prevention by CAI soft, understood the knowledge, attitude and behavioral learning effectiveness of student’s drugs abuse. The research methods use a quasi-experimental research. The experimental group uses CAI, and the control group uses didactic instruction. After experimental teachings, compare the performances of knowledge, attitude and behavioral learning effectiveness between the two groups. CAI software for eleme

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Wu, Tsung-Hsi, and 吳宗熹. "Integrating Shared-Experience Life Skills and Computer-assisted Instruction：Effects on Drug Abuse Prevention in the Elementary School." Thesis, 2010. http://ndltd.ncl.edu.tw/handle/97466031666236076275.

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碩士<br>國立臺北教育大學<br>生命教育與健康促進研究所<br>98<br>This study examined the effect of integrating shared-experience life skills and computer-assisted instruction on drug abuse prevention in the elementary school. This study also aims to understand the students’ knowledge, attitudes and behavior on drug abuse prevention. By developing the curriculum and instruction of integrating shared-experience life skills and computer-assisted instruction, this study hopes to improve elementary school students’ knowledge, attitudes and behavior on drug abuse prevention. The subjects of this study were four classes of f

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Lin, Aleck Chao-Hung. "Designing web sites for enjoyment and learning : a study of museum experiences." Phd thesis, 2007. http://hdl.handle.net/1885/146697.

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27

Almelhes, Sultan. "Teaching of Arabic language proficiency (pronunciation) to non-native speakers : designing interventions using ICT." Thesis, 2016. http://hdl.handle.net/1959.7/uws:38924.

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Knowledge of Arabic, the language of the Qur’an, is essential for Muslims globally because it is used for prayer, Qur’anic recitations and in other religious practices. Saudi Arabia, as the custodian of two of Islam’s three most sacred sites, believes it has a mission to protect the purity of classical Arabic and promote it amongst the world’s Muslim population. The country’s Ministry of Education operates many language institutes dedicated to delivering training to non-native speakers to improve the quality of classical Arabic pronunciation spoken across the world. This study endeavours to fi

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McFarlane, James M. B. "Development and application of structural prediction methods for flexible protein–ligand interactions." Thesis, 2020. http://hdl.handle.net/1828/12083.

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This dissertation presents a collection of biological simulations and predictions in collaboration with experiment to support and elucidate the trends observed in various protein–ligand systems. Within the model systems, there is a strong focus on the support for the development of peptidomimetic inhibitors for post-translational reader proteins (CBX proteins). The systems studied throughout this document each present their own unique challenges but fall under the general theme of protein flexibility and the difficulties of sampling such systems. As part of this work, methodological advances w

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SAMRIDHI. "Molecular dynamics simulation studies of matrix metalloproteinases MMP2 and MMP9 and computer aided drug designing using phytochemicals as their potential inhibitors." Thesis, 2015. http://dspace.dtu.ac.in:8080/jspui/handle/repository/14351.

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Matrix metalloproteinases (MMPs), also designated matrixins, hydrolyze components of the extracellular matrix. These proteinases play a central role in many biological processes, such as embryogenesis, normal tissue remodeling, wound healing, and angiogenesis, and in diseases such as atheroma, arthritis, cancer, and tissue ulceration (Visse et al.,2003). MMPs, especially those capable of cleaving type IV basement membrane collagen (MMP-2 and -9) were considered to be ideal targets for drug development.Two gelatinases, MMP-2 (72-kDa gelatinase) and MMP-9 (92-kDa gelatinase), are key proteina

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30

Schroeer, Nicole. "Teaching through technology in the inclusion classroom : designing an original web-based professional development resource : http://geocities.com/edtechwebquest /." 2002. http://www.geocities.com/edtechwebquest.

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31

Blair, Tracey. "Successful social skills : designing a way of learning non-verbal communication skills : a thesis submitted for the degree of Master of Design, Massey University, Wellington, New Zealand." 2007. http://hdl.handle.net/10179/722.

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This research identifies, and respond to, the particular challenges of teaching social skills to children with autistic characteristics, specifically in this case Asperger’s Syndrome (AS). For most children the process of understanding and developing non-verbal communication begins early in childhood. For children with AS this is not the case and non-verbal communication needs to be taught to them. This project provides support for the educators of children who require assistance in the social skills area. This has been achieved with a structured interactive computer prototype. This prototype

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32

"Applications of evolutionary algorithms on biomedical systems." 2007. http://library.cuhk.edu.hk/record=b5893179.

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Tse, Sui Man.<br>Thesis (M.Phil.)--Chinese University of Hong Kong, 2007.<br>Includes bibliographical references (leaves 95-104).<br>Abstracts in English and Chinese.<br>Abstract --- p.i<br>Acknowledgement --- p.v<br>Chapter 1 --- Introduction --- p.1<br>Chapter 1.1 --- Motivation --- p.1<br>Chapter 1.1.1 --- Basic Concepts and Definitions --- p.2<br>Chapter 1.2 --- Evolutionary Algorithms --- p.5<br>Chapter 1.2.1 --- Chromosome Encoding --- p.6<br>Chapter 1.2.2 --- Selection --- p.7<br>Chapter 1.2.3 --- Crossover --- p.9<br>Chapter 1.2.4 --- Mutation --- p.10<br>Chapter 1.2.5 --- El

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"The applications of image processing in biology and relevant data analysis." 2007. http://library.cuhk.edu.hk/record=b5893361.

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Wang, Zexi.<br>Thesis (M.Phil.)--Chinese University of Hong Kong, 2007.<br>Includes bibliographical references (leaves 63-64).<br>Abstract --- p.i<br>Acknowledgement --- p.iii<br>Chapter 0 --- Introduction --- p.1<br>Chapter 1 --- The Design of the Experiments --- p.4<br>Chapter 1.1 --- Flies and the Devices --- p.5<br>Chapter 1.2 --- Parameter Settings and Interested Information --- p.8<br>Chapter 2 --- Video Processing --- p.11<br>Chapter 2.1 --- "Videos, Computer Vision and Image Processing" --- p.11<br>Chapter 2.2 --- Details in Video Processing --- p.14<br>Chapter 3 --- Data Anal

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Riester, Daniel. "Entwicklung von Substraten und Inhibitoren pharmakologisch relevanter Proteintargets." Doctoral thesis, 2005. http://hdl.handle.net/11858/00-1735-0000-0006-B6D0-D.

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