Literatura científica selecionada sobre o tema "Structure-Based approaches"
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Artigos de revistas sobre o assunto "Structure-Based approaches"
Jiang, Lin, e David Eisenberg. "Structure-Based Approaches to Amyloid Inhibitors". Biophysical Journal 104, n.º 2 (janeiro de 2013): 36a. http://dx.doi.org/10.1016/j.bpj.2012.11.236.
Texto completo da fonteHuang, Ta-Chou, Kung-Hao Liang, Tai-Jay Chang, Kai-Feng Hung, Mong-Lien Wang, Yen-Fu Cheng, Yi-Ting Liao e De-Ming Yang. "Structure-based approaches against COVID-19". Journal of the Chinese Medical Association 87, n.º 2 (20 de dezembro de 2023): 139–41. http://dx.doi.org/10.1097/jcma.0000000000001043.
Texto completo da fonteVieira, Rafael Pinto, Viviane Corrêa Santos e Rafaela Salgado Ferreira. "Structure-based Approaches Targeting Parasite Cysteine Proteases". Current Medicinal Chemistry 26, n.º 23 (10 de outubro de 2019): 4435–53. http://dx.doi.org/10.2174/0929867324666170810165302.
Texto completo da fonteGherardini, P. F., e M. Helmer-Citterich. "Structure-based function prediction: approaches and applications". Briefings in Functional Genomics and Proteomics 7, n.º 4 (25 de junho de 2008): 291–302. http://dx.doi.org/10.1093/bfgp/eln030.
Texto completo da fonteHubbard, Roderick E. "Fragment approaches in structure-based drug discovery". Journal of Synchrotron Radiation 15, n.º 3 (18 de abril de 2008): 227–30. http://dx.doi.org/10.1107/s090904950705666x.
Texto completo da fonteJoseph-McCarthy, D. "Computational approaches to structure-based ligand design". Pharmacology & Therapeutics 84, n.º 2 (novembro de 1999): 179–91. http://dx.doi.org/10.1016/s0163-7258(99)00031-5.
Texto completo da fonteSimon J. Holton, Manfred S. Weiss, Paul A. Tucker e Matthias Wilmanns. "Structure-Based Approaches to Drug Discovery Against Tuberculosis". Current Protein & Peptide Science 8, n.º 4 (1 de agosto de 2007): 365–75. http://dx.doi.org/10.2174/138920307781369445.
Texto completo da fonteJohnson, Sherida, e Maurizio Pellecchia. "Structure- and Fragment-Based Approaches to Protease Inhibition". Current Topics in Medicinal Chemistry 6, n.º 4 (1 de fevereiro de 2006): 317–29. http://dx.doi.org/10.2174/156802606776287072.
Texto completo da fonteEchalier, A., A. Merckx, A. Hole, J. Endicott e M. Noble. "New approaches in structure based kinase drug discovery". Acta Crystallographica Section A Foundations of Crystallography 63, a1 (22 de agosto de 2007): s287. http://dx.doi.org/10.1107/s010876730709352x.
Texto completo da fonteCassidy, C. Keith, Benjamin A. Himes, Zaida Luthey-Schulten e Peijun Zhang. "CryoEM-based hybrid modeling approaches for structure determination". Current Opinion in Microbiology 43 (junho de 2018): 14–23. http://dx.doi.org/10.1016/j.mib.2017.10.002.
Texto completo da fonteTeses / dissertações sobre o assunto "Structure-Based approaches"
Vankayala, Sai Lakshmana Kumar. "Computational Approaches for Structure Based Drug Design and Protein Structure-Function Prediction". Scholar Commons, 2013. http://scholarcommons.usf.edu/etd/4601.
Texto completo da fonteTosatto, Silvio Carlo Ermanno. "Protein structure prediction improving and automating knowledge-based approaches /". [S.l. : s.n.], 2002. http://www.bsz-bw.de/cgi-bin/xvms.cgi?SWB10605023.
Texto completo da fonteEmami, Fatemesadat. "Prediction of Thermodynamic Properties by Structure-Based Group Contribution Approaches". University of Akron / OhioLINK, 2008. http://rave.ohiolink.edu/etdc/view?acc_num=akron1217270074.
Texto completo da fonteSelmadji, Anfel. "From monolithic architectural style to microservice one : structure-based and task-based approaches". Thesis, Montpellier, 2019. http://www.theses.fr/2019MONTS026/document.
Texto completo da fonteSoftware technologies are constantly evolving to facilitate the development, deployment, and maintenance of applications in different areas. In parallel, these applications evolve continuously to guarantee an adequate quality of service, and they become more and more complex. Such evolution often involves increased development and maintenance costs, that can become even higher when these applications are deployed in recent execution infrastructures such as the cloud. Nowadays, reducing these costs and improving the quality of applications are main objectives of software engineering. Recently, microservices have emerged as an example of a technology or architectural style that helps to achieve these objectives.While microservices can be used to develop new applications, there are monolithic ones (i.e., monoliths) built as a single unit and their owners (e.g., companies, etc.) want to maintain and deploy them in the cloud. In this case, it is common to consider rewriting these applications from scratch or migrating them towards recent architectural styles. Rewriting an application or migrating it manually can quickly become a long, error-prone, and expensive task. An automatic migration appears as an evident solution.The ultimate aim of our dissertation is contributing to automate the migration of monolithic Object-Oriented (OO) applications to microservices. This migration consists of two steps: microservice identification and microservice packaging. We focus on microservice identification based on source code analysis. Specifically, we propose two approaches.The first one identifies microservices from the source code of a monolithic OO application relying on code structure, data accesses, and software architect recommendations. The originality of our approach can be viewed from three aspects. Firstly, microservices are identified based on the evaluation of a well-defined function measuring their quality. This function relies on metrics reflecting the "semantics" of the concept "microservice". Secondly, software architect recommendations are exploited only when they are available. Finally, two algorithmic models have been used to partition the classes of an OO application into microservices: clustering and genetic algorithms.The second approach extracts from an OO source code a workflow that can be used as an input of some existing microservice identification approaches. A workflow describes the sequencing of tasks constituting an application according to two formalisms: control flow and /or data flow. Extracting a workflow from source code requires the ability to map OO conceptsinto workflow ones.To validate both approaches, we implemented two prototypes and conducted experiments on several case studies. The identified microservices have been evaluated qualitatively and quantitatively. The extracted workflows have been manually evaluated relying on test suites. The obtained results show respectively the relevance of the identified microservices and the correctness of the extracted workflows
Stehr, Henning [Verfasser]. "Graph-based approaches to protein structure- and function prediction / Henning Stehr". Berlin : Freie Universität Berlin, 2011. http://d-nb.info/1026266157/34.
Texto completo da fonteBIANCO, GIULIA. "Structure-based approaches applied to the study of pharmaceutical relevant targets". Doctoral thesis, Università degli Studi di Cagliari, 2016. http://hdl.handle.net/11584/266709.
Texto completo da fonteAnnadurai, Sivakumar. "Lead generation using a privileged structure-based approach". Diss., Temple University Libraries, 2011. http://cdm16002.contentdm.oclc.org/cdm/ref/collection/p245801coll10/id/213119.
Texto completo da fontePh.D.
In drug discovery there are several approaches to lead generation and one traditional approach involves the synthesis and screening of a structurally diverse compound library against a number of biological targets to identify high affinity lead compounds. The use of a `privileged' structure-based compound library represents a viable approach that could lead to drug like lead compounds. Privileged structures are defined as those ligand substructures that may be used to generate high affinity leads for more than one type of receptor. Examples of privileged structures include phenyl substituted monocycles such as biphenyls, diphenyl methane derivatives, 1,4-dihydropyridines, fused ring systems such as chromones, quinoxalines, quinazolines, 2-benzoxazolones, indoles, benzimidazoles and benzofurans. There are several instances in the literature describing the development of compound libraries based on privileged structures with reportedly high hit rates. Privileged structure based approaches has been used with notable success in the identification of high affinity ligands especially for G-protein coupled receptors (GPCRs). The scaffold 2-aminothiazole (fused and non-fused) may be considered a privileged structure because of its occurrence in a wide variety of pharmaceuticals. The scaffold is found in antibacterials, anti-inflammatory agents, glutamate transporter (GLT-1) modulators, serotonin and muscarinic ligands. The present study involves the synthesis of a 2-aminothiazole (fused and non-fused) based compound library (60 compounds) by incorporating bioactive fragments shown to produce hits in the biological targets of interest. Microwave assisted organic synthesis (MAOS) has been employed at key steps of scaffold synthesis as well as in Suzuki coupling to generate the target aminothiazoles. Preliminary biological screening has resulted in the identification of some promising lead compounds. Trifluoromethoxy substituted aminothiazoles were found to be potent antimicrobials with MIC values in the range of 4-16 microgram/ml. Furanone based aminothiazoles showed affinity for muscarinic receptors. Piperidine based aminothiazoles showed greater than 90% of control (8-OH-DPAT) specific agonist response at the 5-HT1A receptor subtype. The Clog P values of the most potent antimicrobials were found to be in the range of 4.5-6.2 indicating the high lipophilicity of the compounds. High lipophilicity is known to cause solubility issues that may hamper future development. Therefore in an effort to make compounds with intermediate lipophilicity, the phenyl core of the potent aminothiazoles will be replaced with pyridine core using literature procedures (Pyridine core containing aminothiazoles showed Clog P < 4). Future plans include expanding the library, improving the yields of compounds and to evaluate the compounds as modulators of glutamate transporter (GLT-1). The work could be extended to include other privileged structures such as 2-aminooxazole, 2-aminobenzoxazole, 2-aminoimidazole and 2-aminobenzimidazole. These mono and bicyclic heterocyles may be considered bioisosteres of 2-aminothiazole.
Temple University--Theses
Rosenberger, David. "From the bottom up - A systematic study of structure based coarse graining approaches". Phd thesis, TUprints, 2019. https://tuprints.ulb.tu-darmstadt.de/8509/1/Phd_thesis.pdf.
Texto completo da fonteCheca, Ruano Luis. "Structure-based design of antiviral drugs against respiratory viruses using in silico approaches". Electronic Thesis or Diss., Sorbonne université, 2024. https://accesdistant.sorbonne-universite.fr/login?url=https://theses-intra.sorbonne-universite.fr/2024SORUS0743.pdf.
Texto completo da fonteProtein-Protein interactions (PPI) play crucial roles in many biological pathways and are being increasingly explored as potential therapeutic targets, including for treating infectious diseases. However, designing small molecule modulators for PPI remains challenging as PPI interfaces have not evolved to bind small molecules like conventional drug targets such as enzymes or membrane receptors. Therefore, proof of their druggability must be made on a case-by-case basis. In this context, computational approaches can be useful in assisting the design of PPI modulators.This work aims to develop new in silico drug design protocols specifically tailored to PPI targets, with the goal of designing new antiviral drugs against two PPI targets: the respiratory syncytial virus (RSV) and the SARS-CoV-2
Speidel, Joshua A. "Computational approaches to structure based ligand design : an illustration for P/CAF bromodomain ligands /". Access full-text from WCMC, 2007. http://proquest.umi.com/pqdweb?did=1453183061&sid=21&Fmt=2&clientId=8424&RQT=309&VName=PQD.
Texto completo da fonteLivros sobre o assunto "Structure-Based approaches"
Merz, Kenneth M. Drug design: Structure- and ligand-based approaches. Cambridge [U.K.]: Cambridge University Press, 2010.
Encontre o texto completo da fonte1959-, Merz Kenneth M., Ringe Dagmar e Reynolds Charles H. 1957-, eds. Drug design: Structure and ligand-based approaches. Cambridge: Cambridge University Press, 2010.
Encontre o texto completo da fonteW, Codding Penelope, North Atlantic Treaty Organization. Scientific Affairs Division. e NATO Advanced Study Institute on Experimental and Computational Approaches to Structure-Based Drug Design (1996 : Erice, Italy), eds. Structure-based drug design: Experimental and computational approaches. Dordrecht: Kluwer Academic Publishers, 1998.
Encontre o texto completo da fonte1967-, Meurers W. Detmar, e Kiss Tibor 1962-, eds. Constraint-based approaches to Germanic syntax. Stanford, Calif: CSLI Publications, 2001.
Encontre o texto completo da fonteGunji, Takao. Japanese phrase structure grammar: A unification-based approach. Dordrecht, Holland: D. Reidel, 1987.
Encontre o texto completo da fontePapadopoulos, Alexandra. Standards-based curriculum and assessment prototypes: An eye on structure. Sea Cliff, NY: Center for the Study of Expertise in Teaching and Learning, 2005.
Encontre o texto completo da fonteSimpson, Jeffrey H. Organic structure determination using 2-D NMR spectroscopy: A problem-based approach. 2a ed. Waltham, MA: Academic Press, 2012.
Encontre o texto completo da fonteHart, David K. Fundamentals of the structure and history of Russian: A usage-based approach. Bloomington, Indiana: Slavica, 2013.
Encontre o texto completo da fonteAlderson, Michael J. An integrated model of corporate pension policy and capital structure decision: A liability-based approach. [Urbana, Ill.]: College of Commerce and Business Administration, University of Illinois at Urbana-Champaign, 1986.
Encontre o texto completo da fonteMcCoy, Dennis Bryan. Identity transition in persons undergoing elective interval sterilisation and vasectomy: An approach based on identity structure analysis. [s.l: The author], 1986.
Encontre o texto completo da fonteCapítulos de livros sobre o assunto "Structure-Based approaches"
Folkers, Gerd. "Sar, Scope and Limitations of Molecular Design Approaches". In Structure-Based Drug Design, 27–40. Dordrecht: Springer Netherlands, 1998. http://dx.doi.org/10.1007/978-94-015-9028-0_3.
Texto completo da fonteWade, R. C., V. Sobolev, A. R. Ortiz e G. Peters. "Computational Approaches to Modeling Receptor Flexibility Upon Ligand Binding: Application to Interfacially Activated Enzymes". In Structure-Based Drug Design, 223–32. Dordrecht: Springer Netherlands, 1998. http://dx.doi.org/10.1007/978-94-015-9028-0_19.
Texto completo da fonteLevshina, Natalia. "A geometric exemplar-based model of semantic structure". In Constructional Approaches to Language, 241–62. Amsterdam: John Benjamins Publishing Company, 2016. http://dx.doi.org/10.1075/cal.19.09lev.
Texto completo da fonteVerdonk, Marcel L., e Wijnand T. M. Mooij. "Chapter 6. Knowledge-Based Methods in Structure-Based Design". In Computational and Structural Approaches to Drug Discovery, 111–26. Cambridge: Royal Society of Chemistry, 2007. http://dx.doi.org/10.1039/9781847557964-00111.
Texto completo da fonteKihara, Daisuke, Yifeng David Yang e Hao Chen. "Error Estimation of Template-Based Protein Structure Models". In Multiscale Approaches to Protein Modeling, 295–314. New York, NY: Springer New York, 2010. http://dx.doi.org/10.1007/978-1-4419-6889-0_13.
Texto completo da fonteSpitaleri, Andrea, e Walter Rocchia. "Molecular Dynamics-Based Approaches Describing Protein Binding". In Biomolecular Simulations in Structure-Based Drug Discovery, 29–42. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2018. http://dx.doi.org/10.1002/9783527806836.ch2.
Texto completo da fonteMestres, Jordi, Douglas C. Rohrer e Gerald M. Maggiora. "Gaussian-Based Approaches to Protein-Structure Similarity". In Molecular Modeling and Prediction of Bioactivity, 83–88. Boston, MA: Springer US, 2000. http://dx.doi.org/10.1007/978-1-4615-4141-7_8.
Texto completo da fonteBajaj, Shalini, Nilofer Gerald Arakal, Manikanta Murahari e Mayur C. Yergeri. "Design Potent Telomerase Inhibitors Using Structure Based Approaches". In Special Publications, 60–63. Cambridge: Royal Society of Chemistry, 2019. http://dx.doi.org/10.1039/9781839160783-00060.
Texto completo da fonteWinkler, F. K., D. W. Banner e H. J. Böhm. "Structure-Based Approaches in Modern Drug Discovery Research". In Data Mining in Structural Biology, 123–42. Berlin, Heidelberg: Springer Berlin Heidelberg, 2001. http://dx.doi.org/10.1007/978-3-662-04645-6_7.
Texto completo da fonteXu, Zhiqiang, Yunxian Cui e Baoliang Li. "Truss Structure Optimization Design Based on FE-PSO-SQP Algorithm". In New Approaches for Multidimensional Signal Processing, 151–58. Singapore: Springer Nature Singapore, 2022. http://dx.doi.org/10.1007/978-981-19-7842-5_14.
Texto completo da fonteTrabalhos de conferências sobre o assunto "Structure-Based approaches"
Dettwiller, Ian D., e Masoud Rais-Rohani. "Evaluation of Bayesian-Based Models for Belief Structure Representations of Epistemic Uncertainty". In 2018 AIAA Non-Deterministic Approaches Conference. Reston, Virginia: American Institute of Aeronautics and Astronautics, 2018. http://dx.doi.org/10.2514/6.2018-1933.
Texto completo da fonteNguyen, Hien, Tai Huynh, Suong Hoang, Vuong Pham e Ivan Zelinka. "Language-oriented Sentiment Analysis based on the Grammar Structure and Improved Self-attention Network". In 15th International Conference on Evaluation of Novel Approaches to Software Engineering. SCITEPRESS - Science and Technology Publications, 2020. http://dx.doi.org/10.5220/0009358803390346.
Texto completo da fonteWeisgraber, Todd H., Stuart D. C. Walsh, Kostas Karazis e Dennis Gottuso. "Multi-Scale Fluid-Structure Interaction Simulations Based on Mesoscopic Approaches". In ASME 2014 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2014. http://dx.doi.org/10.1115/imece2014-38799.
Texto completo da fonteZhao, Li, e Yan Jin. "Work Structure Based Collaborative Engineering Design". In ASME 2003 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. ASMEDC, 2003. http://dx.doi.org/10.1115/detc2003/dtm-48681.
Texto completo da fonteIvankov, Alexei A., e Mikhail A. Kurochkin. "Recognition of 3D tree crown structure based on its pictures: statistical approach". In International Workshop on New Approaches to High Tech Materials: Nondestructive Testing and Computer Simulations in Materials Scienc, editado por Alexander I. Melker. SPIE, 1998. http://dx.doi.org/10.1117/12.299615.
Texto completo da fonteDeng, Li, e Helmer Strik. "Structure-based and template-based automatic speech recognition - comparing parametric and non-parametric approaches". In Interspeech 2007. ISCA: ISCA, 2007. http://dx.doi.org/10.21437/interspeech.2007-327.
Texto completo da fonteOple, Rohini, Haoqing Wang, Qiongyu Li, Ben Polacco, Sarah Bernhard, Kevin Appourchaux, Sashrik Sribhashyam et al. "Structure based approaches on fentanyl template to design novel mu opioid modulators". In ASPET 2023 Annual Meeting Abstracts. American Society for Pharmacology and Experimental Therapeutics, 2023. http://dx.doi.org/10.1124/jpet.122.527690.
Texto completo da fonteInuiguchi, M. "Structure-based approaches to attribute reduction in variable precision rough set models". In 2005 IEEE International Conference on Granular Computing. IEEE, 2005. http://dx.doi.org/10.1109/grc.2005.1547231.
Texto completo da fonteBabichev, Andrew, e Vladimir Alexandrovich Frolov. "Structure Preserving Exemplar-Based 3D Texture Synthesis". In 31th International Conference on Computer Graphics and Vision. Keldysh Institute of Applied Mathematics, 2021. http://dx.doi.org/10.20948/graphicon-2021-3027-433-442.
Texto completo da fonteFOUCHER, Philippe, Rémi Le, Amine Mansouri, Xavier Dérobert e Cyrille Fauchard. "Concrete structure inspection based on deep learning approaches from visible and radar images". In Sixteenth International Conference on Quality Control by Artificial Vision, editado por Jean-José Orteu e Igor Jovančević. SPIE, 2023. http://dx.doi.org/10.1117/12.2690477.
Texto completo da fonteRelatórios de organizações sobre o assunto "Structure-Based approaches"
Deshpande, Mukund, Michihiro Kuramochi e George Karypis. Frequent Sub-Structure-Based Approaches for Classifying Chemical Compounds. Fort Belvoir, VA: Defense Technical Information Center, março de 2003. http://dx.doi.org/10.21236/ada439580.
Texto completo da fonteTao, Franklin. Understanding of catalysis on early transition metal oxide-based catalysts through exploration of surface structure and chemistry during catalysis using in-situ approaches. Office of Scientific and Technical Information (OSTI), setembro de 2015. http://dx.doi.org/10.2172/1331817.
Texto completo da fontePopel, Maiia V., e Mariya P. Shyshkina. The areas of educational studies of the cloud-based learning systems. [б. в.], setembro de 2019. http://dx.doi.org/10.31812/123456789/3245.
Texto completo da fonteKennedy, Meaghan, Michaela Bonnett e Teri Garstka. A Model for Technology-Enabled Community Resilience. Orange Sparkle Ball, junho de 2024. http://dx.doi.org/10.61152/plcr9111.
Texto completo da fonteMeyer e Carson. PR-415-124508-R01 Strain-Based Design and Assessment State-of-Art Review. Chantilly, Virginia: Pipeline Research Council International, Inc. (PRCI), novembro de 2012. http://dx.doi.org/10.55274/r0010796.
Texto completo da fonteLutz, Carsten. Interval-based Temporal Reasoning with General TBoxes. Aachen University of Technology, 2000. http://dx.doi.org/10.25368/2022.109.
Texto completo da fonteAltman, Safra, Matthew Balazik e Catherine Thomas. Eelgrass functions, services, and considerations for compensatory mitigation. Engineer Research and Development Center (U.S.), abril de 2023. http://dx.doi.org/10.21079/11681/46833.
Texto completo da fonteEdwards, Mervyn, Brian Robinson, Mike Stewart, James Hobbs e Tyler London. PPR2027 Research on Performance Test Procedures for Petroleum Road Fuel Tankers. TRL, fevereiro de 2024. http://dx.doi.org/10.58446/wrwu3932.
Texto completo da fonteAlessandro, Martín, Carlos Santiso e Mariano Lafuente. The Role of the Center of Government: A Literature Review. Inter-American Development Bank, setembro de 2013. http://dx.doi.org/10.18235/0009130.
Texto completo da fonteWeng, Shaomeng. Structure-Based Approach for Discovery of Small Molecule Inhibitors Targeted at AKT. Fort Belvoir, VA: Defense Technical Information Center, abril de 2006. http://dx.doi.org/10.21236/ada466577.
Texto completo da fonte