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Relevant bibliographies by topics / AutoDock Tools

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Academic literature on the topic 'AutoDock Tools'

Author: Grafiati

Published: 2 June 2025

Last updated: 31 July 2025

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Journal articles on the topic "AutoDock Tools"

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Sarthak, Pal1 Meenu Chaudhary*2 Kanishak Kala3. "Autodock & Autodock Vina: Development, Capabilities, & Applications in Molecular Docking." International Journal of Pharmaceutical Sciences 3, no. 5 (2025): 3005–19. https://doi.org/10.5281/zenodo.15458275.

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AutoDock and AutoDock Vina are popular molecular docking technologies that are essential to structure-based drug discovery because they can predict ligand-receptor interactions. Their theoretical underpinnings, methods of application, and comparative effectiveness across several biological targets are assessed in this study. Vina's multicore support and empirical scoring are compared to AutoDock4's semi-empirical scoring function and flexible docking strategy. Furthermore, the impact of developments like AutoGridFR and GPU-accelerated versions on computational efficiency is examined. The benef

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Flores, Doménica, and Carola Jerves. "Computational Comparison of the Binding Affinity of Selective and Nonselective NSAIDs to COX-2 Using Molecular Docking." Bionatura Journal 2, no. 2 (2025): 1–14. https://doi.org/10.70099/bj/2025.02.02.3.

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Cyclooxygenase-2 (COX-2) plays a key role in inflammation, making it a prime target for nonsteroidal anti-inflammatory drugs (NSAIDs). This study uses molecular docking to compare the binding affinities of four nonselective NSAIDs (aspirin, ibuprofen, diclofenac, naproxen) and three selective COX-2 inhibitors (celecoxib, rofecoxib, etoricoxib) to COX-2. Simulations with AutoDock4 and AutoDock Vina revealed distinct differences in binding profiles and selectivity. Selective COX-2 inhibitors exhibited stronger binding affinities, with etoricoxib achieving -11.22 kcal/mol (AutoDock4), driven by k

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Tang, Shidi, Ruiqi Chen, Mengru Lin, et al. "Accelerating AutoDock Vina with GPUs." Molecules 27, no. 9 (2022): 3041. http://dx.doi.org/10.3390/molecules27093041.

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AutoDock Vina is one of the most popular molecular docking tools. In the latest benchmark CASF-2016 for comparative assessment of scoring functions, AutoDock Vina won the best docking power among all the docking tools. Modern drug discovery is facing a common scenario of large virtual screening of drug hits from huge compound databases. Due to the seriality characteristic of the AutoDock Vina algorithm, there is no successful report on its parallel acceleration with GPUs. Current acceleration of AutoDock Vina typically relies on the stack of computing power as well as the allocation of resourc

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Zhang, Yuqi, Stefano Forli, Anna Omelchenko, and Michel F. Sanner. "AutoGridFR: Improvements on AutoDock Affinity Maps and Associated Software Tools." Journal of Computational Chemistry 40, no. 32 (2019): 2882–86. http://dx.doi.org/10.1002/jcc.26054.

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Lestari, Ayu Rahmania, Irmanida Batubara, Setyanto Tri Wahyudi, and Auliya Ilmiawati. "Phenolic Compound in Garlic (Allium sativum) and Black Garlic Potency as Antigout Using Molecular Docking Approach." Jurnal Kimia Sains dan Aplikasi 25, no. 7 (2022): 253–63. http://dx.doi.org/10.14710/jksa.25.7.253-263.

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Phenolics, including flavonoids, are bioactive components in garlic in relatively abundant amounts and are present 2–4 times more in black garlic. Both of these compounds are reported to have biological activity, with one of them acting as an antioxidant. However, its ability as an antigout is still not widely reported. Xanthine oxidase, adenine deaminase, guanine deaminase, purine nucleoside phosphorylase, and 5-Nucleotidase II are involved during the production of uric acid and causes gout. This study predicted the potential of the phenolic and flavonoid compounds in garlic and black garlic

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Nawaz, Dil, TARIQ PERVEZ, and Muhammad Aqib Shabbir. "COMPARATIVE EVALUATION OF PROTEIN AND LIGAND-BASED DOCKING PROTOCOLS THROUGH PROTEIN PHOSPHATASE SLINGSHOT HOMOLOG 2 COMPLEX." Pakistan Postgraduate Medical Journal 34, no. 03 (2023): 139–44. http://dx.doi.org/10.51642/ppmj.v34i03.557.

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A molecular docking study is used to investigate the interactions between the two molecules. These interactions may be covalent, hydrogen, or Van der Waals forces. Various web-based and stand-alone tools have been discovered for molecular docking analysis. In this study, we performed a comparison between web-based and stand-alone docking tools to evaluate the accuracy. Five web-based tools i) Dockthor, ii) Patchdock, iii) RPBA Web, iv) Swissdock, v) Patinum and two stand-alone tools1) Autodock Vina & 2) Hex were selected for the evaluation of the tool`s accuracy in term of best conformatio

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Ayubbi, Muhammad Reza Pahlevy Al, Rika Melati, and Umul Karimah. "PENAMBATAN MOLEKUL SIANIDIN Ipomoea batatas L. SEBAGAI INHIBITOR HUMAN EPIDERMAL RECEPTOR 2 (HER-2) PADA KANKER PAYUDARA." Journal of Sustainable Transformation 1, no. 2 (2023): 60–67. http://dx.doi.org/10.59310/jst.v1i2.14.

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HER-2 (Human Epidermal Receptor 2) is a receptor on the cell surface that affects cell proliferation, this receptor support controls healthy cell growth,divide and repair cells when they are damaged. When HER-2 had overexpressed will not controlled cancer cell division. Overexpressed HER-2 could inhibited with cyanidine compound flavonoid derivatives from Ipomoea batatas L. (purple sweet potato). This study aim to measured potential of Ipomoea batatas L. cyanidin compounds in inhibited overexpressed HER-2 using computational chemistry methods specifically is molecular docking. Stages of molecu

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Namitha, K. N., and Velmurugan V. "Review of bioinformatic tools used in Computer Aided Drug Design (CADD)." World Journal of Advanced Research and Reviews 14, no. 2 (2022): 453–65. https://doi.org/10.5281/zenodo.7298898.

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Drug discovery is а time consuming рrосess of finding out a new drug molecule. The process takes many years to complete and needs human resource. These is difficulties have been overcome by introducing computer programmes in drug discovery (CADD) which includes target identification, hit identification, and molecular modification of а lead compound to optimize desired effects and minimize side effects, based on the knowledge of their biological targets. Molecular modelling is the process of designing a molecule with a computer-based collection of programmes (in-silico design) for deriving, rep

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NAEEM, SABAHAT, HINA SALEEM, SHUMAILA SHAFIQUE, and MAHWISH AKHTAR. "An In-silico Comparative Study of Binding Affinities and Binding Orientations of Isoniazid Synthetic Analogues to InhA by AutoDock and AutoDock Vina." RADS Journal of Pharmacy and Allied Health Sciences 2, no. 2 (2024): 27–37. https://doi.org/10.37962/jphs.v2i2.65.

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Molecular docking is frequently applied to predict the binding modes of molecules with their target binding sites. Numerous docking tools are therefore available with different default settings; the selection of appropriate docking tool is therefore always present a great challenge. Here, we therefore compared the binding patterns of two popular and freely available docking programs, AutoDock Tool (ADT) and AutoDock-Vina (Vina) for six structurally related Isoniazid synthetic to the enzyme Enoyl Acyl Carrier protein reductase (InhA). Both these programs were used with their default docking par

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Kenneth Obiakor, Onyeka Chinwuba Obidiegwu, Keziah Uchechi Ajah, Christian Chidebe, Ajuzie Henry Ogechi, and Ikemefuna Chijioke Uzochukwu. "Discovery of antiadhesins of Helicobacter pylori from existing drugs and medicines for malaria ventures pathogen box compounds." GSC Biological and Pharmaceutical Sciences 20, no. 3 (2022): 198–212. http://dx.doi.org/10.30574/gscbps.2022.20.3.0356.

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Background: Helicobacter pylori infection is a worldwide problem with more than half of the world's population in both developed and developing countries are infected with this organism. The best-characterized H. pylori adhesins, Blood group antigen binding Adhesin (BabA) and Sialic acid binding Adhesin (SabA) are virulent factors which facilitate adhesion of the bacteria to the host cells. Methods: We determined the binding affinities of selected existing drugs and medicines for malaria venture pathogen box compounds to H. pylori adhesin receptors by molecular docking simulations. The 3D crys

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Dissertations / Theses on the topic "AutoDock Tools"

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Cruz, Pedro Filipe Monteiro. "Development of tools to automate 3D model designs in Autodesk Inventor from Microsoft Excel spreadsheet." Master's thesis, 2019. https://hdl.handle.net/10216/122862.

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Books on the topic "AutoDock Tools"

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Knowledge, Ascent Center for Technical. Autodesk Revit 2019 : Collaboration Tools: Autodesk Authorized Publisher. ASCENT, Center for Technical Knowledge, 2019.

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Autodesk Revit 2023 : Collaboration Tools: Autodesk Authorized Publisher. ASCENT, Center for Technical Knowledge, 2022.

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ASCENT - Center for Technical Knowledge. Autodesk Revit 2022 : Collaboration Tools: Autodesk Authorized Publisher. ASCENT, Center for Technical Knowledge, 2021.

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ASCENT - Center for Technical Knowledge. Autodesk Revit 2022 : Collaboration Tools: Autodesk Authorized Publisher. ASCENT, Center for Technical Knowledge, 2021.

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Ascent - Center for Technical Knowledge. Autodesk Revit 2019 : Collaboration Tools: Autodesk Authorized Publisher. ASCENT, Center for Technical Knowledge, 2019.

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Autodesk Revit 2023 : Collaboration Tools: Autodesk Authorized Publisher. ASCENT, Center for Technical Knowledge, 2023.

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Autodesk Revit 2018 Collaboration Tools - Imperial: Autodesk Authorized Publisher. ASCENT, Center for Technical Knowledge, 2017.

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Autodesk Revit 2018 : Collaboration Tools - Metric: Autodesk Authorized Publisher. ASCENT, Center for Technical Knowledge, 2017.

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Knowledge, Ascent Center for Technical. Autodesk Inventor 2019 : Design Tools and Strategies: Autodesk Authorized Publisher. ASCENT, Center for Technical Knowledge, 2018.

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Ascent - Center for Technical Knowledge. Autodesk Inventor 2019 : Presenting Designs with Image and Animation Tools (Mixed: Autodesk Authorized Publisher. ASCENT, Center for Technical Knowledge, 2018.

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Book chapters on the topic "AutoDock Tools"

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Liu, Zhuoran, Changsheng Zhang, Qidong Zhao, Bin Zhang, and Wenjuan Sun. "Comparative Study of Evolutionary Algorithms for Protein-Ligand Docking Problem on the AutoDock." In Simulation Tools and Techniques. Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-030-32216-8_58.

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Kishore, T. "Additional Modeling Tools." In Learn Autodesk Inventor 2018 Basics. Apress, 2017. http://dx.doi.org/10.1007/978-1-4842-3225-5_5.

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Cascone, Stefano. "Integrating Green Roofs into Building Information Modeling (BIM): A Computational Approach for Sustainable Building Design." In CONVR 2023 - Proceedings of the 23rd International Conference on Construction Applications of Virtual Reality. Firenze University Press, 2023. http://dx.doi.org/10.36253/979-12-215-0289-3.99.

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The construction industry is currently witnessing a transformative period characterized by the convergence of the green and digital transitions. The green transition seeks to address environmental challenges such as climate change and resource depletion, while the digital transition leverages advanced technologies to enhance construction processes. This paper specifically explores the integration of green roofs, as component of sustainable buildings, into the Building Information Modeling (BIM) framework, a key enabler of the digital transition. Green roofs, known for their environmental benef

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Cascone, Stefano. "Integrating Green Roofs into Building Information Modeling (BIM): A Computational Approach for Sustainable Building Design." In CONVR 2023 - Proceedings of the 23rd International Conference on Construction Applications of Virtual Reality. Firenze University Press, 2023. http://dx.doi.org/10.36253/10.36253/979-12-215-0289-3.99.

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The construction industry is currently witnessing a transformative period characterized by the convergence of the green and digital transitions. The green transition seeks to address environmental challenges such as climate change and resource depletion, while the digital transition leverages advanced technologies to enhance construction processes. This paper specifically explores the integration of green roofs, as component of sustainable buildings, into the Building Information Modeling (BIM) framework, a key enabler of the digital transition. Green roofs, known for their environmental benef

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T.T. Le, Vy, Tu H.T. Nguyen, and Phuc-Chau Do. "Global ligand-protein docking tools: Comparation and Case study." In Unravelling Molecular Docking - From Theory to Practice [Working Title]. IntechOpen, 2024. http://dx.doi.org/10.5772/intechopen.1005158.

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Molecular docking study, a method used in drug discovery, is used to estimate the interactions between small molecules and macromolecules. Docking can be divided into rigid and flexible docking where local and global docking is the subclass in the flexible approach. Two important criteria in docking are search algorithms and scoring functions. The former assesses the fitness of ligand poses within the protein’s binding site, while the latter explores different ligands “conformations until the point at which the least energy convergence is achieved.” Three user-friendly global docking programs

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Mursal, Mohd, Mohammad Ahmad, Sahil Hussain, and Mohemmed Faraz Khan. "Navigating the Computational Seas: A Comprehensive Overview of Molecular Docking Software in Drug Discovery." In Unravelling Molecular Docking - From Theory to Practice [Working Title]. IntechOpen, 2024. http://dx.doi.org/10.5772/intechopen.1004802.

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Molecular docking software is an indispensable tool in the dynamic landscape of computational biology and drug discovery. This software facilitates the simulation and prediction of interactions between small molecules and target proteins, offering a detailed glimpse into molecular binding phenomena. Employing sophisticated algorithms, these programs assess binding affinity, predict binding modes, and contribute crucial insights to streamline drug development processes. Examples of widely used molecular docking software include AutoDock, GOLD, and DOCK, each renowned for their capabilities in o

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Wolf Antje, Hofmann-Apitius Martin, Ghanem Moustafa, et al. "DockFlow – a prototypic PharmaGrid for Virtual Screening Integrating Four Different Docking Tools." In Studies in Health Technology and Informatics. IOS Press, 2009. https://doi.org/10.3233/978-1-60750-027-8-3.

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In this paper we present DockFlow, a prototypic version of a PharmaGrid. DockFlow is supporting pharmaceutical research through enabling virtual screening on the Grid. The system was developed in the course of the BRIDGE project funded by the European Commission. Grids have been used before to run compute- and data-intensive virtual screening experiments, like in the WISDOM project. With DockFlow, however, we addressed a variety of problems yet unsolved, like the diversity of results produced by different docking tools. We also addressed the problem of analysing the data produced in a distribu

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Das, Jyotirmoy, Basudev Tassa, and Biplab Kumar Das. "COMPUTER AIDED DRUG DESIGNING – A NOVEL APPROACH METHOD." In Futuristic Trends in Agriculture Engineering & Food Sciences Volume 3 Book 8. Iterative International Publisher, Selfypage Developers Pvt Ltd, 2024. http://dx.doi.org/10.58532/v3bcag8p6ch2.

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Today, there possesses different types of drugs against different diseases and various sophisticated technologies but still it is not enough to develop drugs instantly against a new emerging disease as drug designing and development is a complex and lengthy process and requires a huge amount of money. In 21st generation, other reliable methodsare being used to speed up the drug discovery process following the combinatorial chemistry emergence, known as computer aided drug designing where drugs leads are being predicted among the huge number of molecules by checking the interaction between the

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Fernandez, Mini, and ANVSL Sarayu. "In-Silico Studies of MTNB, TM14A, LEG2, S10A3 and ITC4S Proteins Involved in Lung Cancer." In Convergence of Technology & Biology - Transforming Life Sciences. Shanlax Publications, 2025. https://doi.org/10.34293/ctbtls.2025.ch008.

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Lung cancer has the highest mortality rates among both men and women and is the leading cause of cancer-related deaths worldwide. Research has shown that five proteins—MTNB, TM14A, LEG2, S10A3, and LTC4S—can accelerate the development of lung cancer. These proteins' target sequences, template sequences, and alignments were obtained from UniProtKB, PDB-RCSB, and ClustalOmega. Protein modeling and validation were performed using SWISS-MODEL and the SAVES v6.0 and ProSA tools. Surface pockets were identified using CASTpFold. Each protein was then docked with three selected ligands—sorafenib, dist

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Bazeera Ferdhous, P., P. S. Gowtham, and B. Vanavil. "Curdlan Sulfate as a Novel Inhibitor for SARS-CoV-2 (COVID – 19): A Molecular Docking Study using Computational Tools." In New Frontiers in Communication and Intelligent Systems. Soft Computing Research Society, 2021. http://dx.doi.org/10.52458/978-81-95502-00-4-52.

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COVID-19 caused by SARS-CoV-2 affected almost 2.7 million populations over worldwide. Hence there is an immediate need for a potential antiviral agent against COVID-19. Previous studies reported that curdlan sulfate has an extensive array of biological properties and has been recommended for the treatment of diseases like malaria, HIV, dengue, etc. Bioinformatics tools have positively impacted coronavirus research and have been fruitfully employed for unraveling the viral genomics and genome wide association studies, detection of SARS-CoV-2 infection, outlining of the COVID-19 pandemic, evolut

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Conference papers on the topic "AutoDock Tools"

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Srinivasu, Nulaka, K. V. V. Satyanarayana, and N. Gopala Krishna Murthy. "Structure based drug design studies on CDK2 amino pyrazole inhibitors using Autodock Tools." In 2014 Conference on IT in Business, Industry and Government (CSIBIG). IEEE, 2014. http://dx.doi.org/10.1109/csibig.2014.7056965.

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Timkin, Pavel, E. Timofeev, A. Chupalov, and Evgeniy Borodin. "ANALYSIS AND SELECTION OF LIGANDS FOR TRPM8 USING HARD DOCKING AND MACHINE LEARNING." In XIV International Scientific Conference "System Analysis in Medicine". Far Eastern Scientific Center of Physiology and Pathology of Respiration, 2020. http://dx.doi.org/10.12737/conferencearticle_5fe01d9b233509.17835494.

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In this work, using the in-silico experiment modeling method, the receptor and its ligands were docked in order to obtain the data necessary to study the possibility of using machine learning and hard intermolecular docking methods to predict potential ligands for various receptors. The protein TRPM8 was chosen, which is a member of the TRP superfamily of proteins and its classic agonist menthol as a ligand. It is known that menthol is able to bind to tyrosine 745 of the B chain. To carry out all the manipulations, we used the Autodock software and a special set of graphic tools designed to wo

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Cavalcanti, Misael De Azevedo Teotônio, Renata Joyce Diniz Silva, and Ricardo Olímpio De Moura. "AVALIAÇÃO IN SILICO DE POSSÍVEL MECANISMO DE AÇÃO DE DERIVADOS 2-CIANO-FENILACRILAMIDA PARA A ARTRITE REUMATOIDE, VIA INIBIÇÃO DA ENZIMA DIIDROOROTATO DESIDROGENASE (DHODH)." In III Congresso Brasileiro de Ciências Farmacêuticas On-line. Revista Multidisciplinar em Saúde, 2022. http://dx.doi.org/10.51161/conbracif/27.

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Introdução: A artrite reumatoide é uma desordem crônica e autoimune, caracterizada por inflamação da membrana sinovial e produção de autoanticorpos que destroem cartilagens articulares. Um alvo relevante é a diidroorotato desidrogenase (DHODH), enzima mitocondrial-chave envolvida na síntese de novo de pirimidinas em células proliferativas, como linfócitos T e B, que iniciam resposta imune e promovem sinovite. Nesse sentido, os derivados (E)-2-ciano-3-(1H-indol-3-il)-N-fenilacrilamida (ICMD-01) e (E)-2-ciano-N,3-difenilacrilamida (JMPR-01), previamente publicados, são promissores para tratament

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Buechler, Camden, David Ludwick, Jon Pelletier, Nathan Abramson, and Satya Chataut. "Repurposing Autodesk Civil 3D grading tools for natural landform closure design." In Mine Closure 2023: 16th International Conference on Mine Closure. Australian Centre for Geomechanics, Perth, 2023. http://dx.doi.org/10.36487/acg_repo/2315_043.

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Belinić, Barbara. "Using Autodesk Civil 3D in railroad infrastructure design." In 7th International Conference on Road and Rail Infrastructure. University of Zagreb Faculty of Civil Engineering, 2022. http://dx.doi.org/10.5592/co/cetra.2022.1390.

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Due to its great geological and transport position, Croatia is part of important international transport corridors and was included in the Trans-European Transport Network when it joined the European Union. The fact that Gradec - Sveti Ivan Žabno section is the first completed new line in Croatia after 50 years shows how much the railroads in Croatia need revitalization in order to increase railroad capacity, speed and safety level. The next ten years will be marked by investments in rail infrastructure projects worth an estimated 4.4 billion. Due to the large infrastructure projects, such as

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Aldhaher, Dunya, and Owain Llywelyn. "HOW CAN BUILDING INFORMATION MODELLING (BIM) TOOLS AND WORKFLOWS ASSIST ARCHITECTS TO OPTIMISE THEIR DESIGN AND ACHIEVING ENERGY EFFICIENCY RESULTS?" In Sixth International Conference on Sustainable Construction Materials and Technologies. Coventry University, 2024. http://dx.doi.org/10.18552/2024/scmt/333.

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Buildings are the biggest source of greenhouse gas emissions and energy consumption around the world. Therefore, applying sustainability issues and energy efficiency in architecture, engineering, and construction (AEC) industry become necessary to measure performance of the building. The emergence of Building Information Modelling (BIM) provides simple energy model with optimum energy requirements in the early design stage of the project. This research provides a critical analysis of BIM uses in green and energy efficient buildings, BIM and energy simulation tools; and the interoperability amo

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Razakov, M. A., V. A. Nazarova, D. A. Derevyanko, and A. V. Kondrashov. "Virtual Technological Line Simulator for the Production of Chocolate." In International scientific and practical conference “Smart cities and sustainable development of regions” (SMARTGREENS 2024). Crossref, 2025. https://doi.org/10.63550/iceip.2025.1.1.033.

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Authors have presented the designed simulation complex of chocolate production in this paper. There is an overview of researches which have modern programmes for training specialists in bachelor and masters degrees. Researchers have explored the information about modern tools for educational system of many industries engineers in actual databases: RSCI; Scopus; Web of Science; Ebsco; Agris and others. It has been presented the actual information solutions that can be used to train specialists in different sectors of the food industry in this work. There are advantages and disadvantages of the

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Serov, I. I., T. N. Tomchinskaya, and A. D. Filinskikh. "Experimental Study of Tools for Integrating BIM and GIS Technologies in the Tasks of Managing Industrial Buildings and Territories." In 32nd International Conference on Computer Graphics and Vision. Keldysh Institute of Applied Mathematics, 2022. http://dx.doi.org/10.20948/graphicon-2022-784-795.

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The issues of the development of an information system for managing complex buildings of large organizations based on the joint application of BIM and GIS technologies have been studied. Nizhny Novgorod State Technical University (NSTU) named after R.E.Alekseev. The main problem is to coordinate the mutual exchange of data between BIM and GIS, The main problem is to coordinate the mutual exchange of data between BIM and GIS, which would provide extruction and transfer data excluding errors and data loss. The solution of the problem, and tools for this, are considered on the example of typical

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Alfred, Ashish, Navid Goudarzi, Elijah Gulley, and Apostolos Kalatzis. "Integrated CFD-VR Visualization of Indoor Displacement Ventilation." In ASME 2024 Power Conference. American Society of Mechanical Engineers, 2024. http://dx.doi.org/10.1115/power2024-138902.

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Abstract The utilization of modeling and simulation techniques is increasingly prevalent in engineering and research fields, particularly in energy efficiency and modeling. These tools offer cost-effective and flexible means of exploring diverse scenarios, including improvement in indoor thermal comfort and advancements in internal energy efficiency through the integration of advanced insulation or smart windows. However, significant challenges persist with current modeling and simulation tools, such as the requirement for specialized expertise, reliance on a wide array of complex software too

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Титова, Мария, Maria Titova, Татьяна Томчинская, and Tatyana Tomchinskaya. "Simulation of Contractile Heart Function in the Autodesk Maya Environment Based on Muscle Fiber Macro-Structure." In 29th International Conference on Computer Graphics, Image Processing and Computer Vision, Visualization Systems and the Virtual Environment GraphiCon'2019. Bryansk State Technical University, 2019. http://dx.doi.org/10.30987/graphicon-2019-2-227-331.

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A dynamic simulation model of the contractile function of the heart is presented. The contractile function simulation is based on the modeling of the muscle fibers' structure according to the Atlas of human anatomy and the use of parameters of their geometric shape as parameters that control the contraction. The basic concepts of the architecture of muscle fibers of the myocardium and the structure of the blood supply to the heart are investigated. An algorithm is developed for local parameterization of the contractile function of the heart, which mimics blood flow and conduction disturbances

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Reports on the topic "AutoDock Tools"

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Modlo, Yevhenii O., Serhiy O. Semerikov, Pavlo P. Nechypurenko, Stanislav L. Bondarevskyi, Olena M. Bondarevska, and Stanislav T. Tolmachev. The use of mobile Internet devices in the formation of ICT component of bachelors in electromechanics competency in modeling of technical objects. [б. в.], 2019. http://dx.doi.org/10.31812/123456789/3264.

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Computer simulation of technical objects and processes is one of the components of the system of professional training of a modern electromechanics engineer. It has been established that despite the fact that mobile Internet devices (MID) are actively used by electrical engineers, the methods of using them in the process of bachelor in electromechanics training is considered only in some domestic scientific studies. The article highlights the components of the methods of using MID in the formation of the ICT component of the competence of the bachelor in electromechanics in modeling of technic

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Furman, Burford, Laxmi Ramasubramanian, Shannon McDonald, et al. Solar-Powered Automated Transportation: Feasibility and Visualization. Mineta Transportation Institute, 2021. http://dx.doi.org/10.31979/mti.2021.1948.

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A solar-powered automated transportation network (ATN) connecting the North and South campuses of San José State University with three passenger stations was designed, visualized, and analyzed in terms of its energy usage, carbon offset, and cost. The study’s methodology included the use of tools and software such as ArcGIS, SketchUp, Infraworks, Sketchup, Rhinoceros, and Autodesk 3DS Max. ATN vehicle energy usage was estimated using data from the university’s Park & Ride shuttle bus operation and by modeling with SUMOPy, the advanced simulation suite for the micro-traffic simulator SUMO.

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