Littérature scientifique sur le sujet « Structure-Based approaches »
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Articles de revues sur le sujet "Structure-Based approaches"
Jiang, Lin, et David Eisenberg. « Structure-Based Approaches to Amyloid Inhibitors ». Biophysical Journal 104, no 2 (janvier 2013) : 36a. http://dx.doi.org/10.1016/j.bpj.2012.11.236.
Texte intégralHuang, Ta-Chou, Kung-Hao Liang, Tai-Jay Chang, Kai-Feng Hung, Mong-Lien Wang, Yen-Fu Cheng, Yi-Ting Liao et De-Ming Yang. « Structure-based approaches against COVID-19 ». Journal of the Chinese Medical Association 87, no 2 (20 décembre 2023) : 139–41. http://dx.doi.org/10.1097/jcma.0000000000001043.
Texte intégralVieira, Rafael Pinto, Viviane Corrêa Santos et Rafaela Salgado Ferreira. « Structure-based Approaches Targeting Parasite Cysteine Proteases ». Current Medicinal Chemistry 26, no 23 (10 octobre 2019) : 4435–53. http://dx.doi.org/10.2174/0929867324666170810165302.
Texte intégralGherardini, P. F., et M. Helmer-Citterich. « Structure-based function prediction : approaches and applications ». Briefings in Functional Genomics and Proteomics 7, no 4 (25 juin 2008) : 291–302. http://dx.doi.org/10.1093/bfgp/eln030.
Texte intégralHubbard, Roderick E. « Fragment approaches in structure-based drug discovery ». Journal of Synchrotron Radiation 15, no 3 (18 avril 2008) : 227–30. http://dx.doi.org/10.1107/s090904950705666x.
Texte intégralJoseph-McCarthy, D. « Computational approaches to structure-based ligand design ». Pharmacology & ; Therapeutics 84, no 2 (novembre 1999) : 179–91. http://dx.doi.org/10.1016/s0163-7258(99)00031-5.
Texte intégralSimon J. Holton, Manfred S. Weiss, Paul A. Tucker et Matthias Wilmanns. « Structure-Based Approaches to Drug Discovery Against Tuberculosis ». Current Protein & ; Peptide Science 8, no 4 (1 août 2007) : 365–75. http://dx.doi.org/10.2174/138920307781369445.
Texte intégralJohnson, Sherida, et Maurizio Pellecchia. « Structure- and Fragment-Based Approaches to Protease Inhibition ». Current Topics in Medicinal Chemistry 6, no 4 (1 février 2006) : 317–29. http://dx.doi.org/10.2174/156802606776287072.
Texte intégralEchalier, A., A. Merckx, A. Hole, J. Endicott et M. Noble. « New approaches in structure based kinase drug discovery ». Acta Crystallographica Section A Foundations of Crystallography 63, a1 (22 août 2007) : s287. http://dx.doi.org/10.1107/s010876730709352x.
Texte intégralCassidy, C. Keith, Benjamin A. Himes, Zaida Luthey-Schulten et Peijun Zhang. « CryoEM-based hybrid modeling approaches for structure determination ». Current Opinion in Microbiology 43 (juin 2018) : 14–23. http://dx.doi.org/10.1016/j.mib.2017.10.002.
Texte intégralThèses sur le sujet "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.
Texte intégralTosatto, 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.
Texte intégralEmami, 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.
Texte intégralSelmadji, Anfel. « From monolithic architectural style to microservice one : structure-based and task-based approaches ». Thesis, Montpellier, 2019. http://www.theses.fr/2019MONTS026/document.
Texte intégralSoftware 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.
Texte intégralBIANCO, 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.
Texte intégralAnnadurai, 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.
Texte intégralPh.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.
Texte intégralCheca, 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.
Texte intégralProtein-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.
Texte intégralLivres sur le sujet "Structure-Based approaches"
Merz, Kenneth M. Drug design : Structure- and ligand-based approaches. Cambridge [U.K.] : Cambridge University Press, 2010.
Trouver le texte intégral1959-, Merz Kenneth M., Ringe Dagmar et Reynolds Charles H. 1957-, dir. Drug design : Structure and ligand-based approaches. Cambridge : Cambridge University Press, 2010.
Trouver le texte intégralW, Codding Penelope, North Atlantic Treaty Organization. Scientific Affairs Division. et NATO Advanced Study Institute on Experimental and Computational Approaches to Structure-Based Drug Design (1996 : Erice, Italy), dir. Structure-based drug design : Experimental and computational approaches. Dordrecht : Kluwer Academic Publishers, 1998.
Trouver le texte intégral1967-, Meurers W. Detmar, et Kiss Tibor 1962-, dir. Constraint-based approaches to Germanic syntax. Stanford, Calif : CSLI Publications, 2001.
Trouver le texte intégralGunji, Takao. Japanese phrase structure grammar : A unification-based approach. Dordrecht, Holland : D. Reidel, 1987.
Trouver le texte intégralPapadopoulos, 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.
Trouver le texte intégralSimpson, Jeffrey H. Organic structure determination using 2-D NMR spectroscopy : A problem-based approach. 2e éd. Waltham, MA : Academic Press, 2012.
Trouver le texte intégralHart, David K. Fundamentals of the structure and history of Russian : A usage-based approach. Bloomington, Indiana : Slavica, 2013.
Trouver le texte intégralAlderson, 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.
Trouver le texte intégralMcCoy, Dennis Bryan. Identity transition in persons undergoing elective interval sterilisation and vasectomy : An approach based on identity structure analysis. [s.l : The author], 1986.
Trouver le texte intégralChapitres de livres sur le sujet "Structure-Based approaches"
Folkers, Gerd. « Sar, Scope and Limitations of Molecular Design Approaches ». Dans Structure-Based Drug Design, 27–40. Dordrecht : Springer Netherlands, 1998. http://dx.doi.org/10.1007/978-94-015-9028-0_3.
Texte intégralWade, R. C., V. Sobolev, A. R. Ortiz et G. Peters. « Computational Approaches to Modeling Receptor Flexibility Upon Ligand Binding : Application to Interfacially Activated Enzymes ». Dans Structure-Based Drug Design, 223–32. Dordrecht : Springer Netherlands, 1998. http://dx.doi.org/10.1007/978-94-015-9028-0_19.
Texte intégralLevshina, Natalia. « A geometric exemplar-based model of semantic structure ». Dans Constructional Approaches to Language, 241–62. Amsterdam : John Benjamins Publishing Company, 2016. http://dx.doi.org/10.1075/cal.19.09lev.
Texte intégralVerdonk, Marcel L., et Wijnand T. M. Mooij. « Chapter 6. Knowledge-Based Methods in Structure-Based Design ». Dans Computational and Structural Approaches to Drug Discovery, 111–26. Cambridge : Royal Society of Chemistry, 2007. http://dx.doi.org/10.1039/9781847557964-00111.
Texte intégralKihara, Daisuke, Yifeng David Yang et Hao Chen. « Error Estimation of Template-Based Protein Structure Models ». Dans 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.
Texte intégralSpitaleri, Andrea, et Walter Rocchia. « Molecular Dynamics-Based Approaches Describing Protein Binding ». Dans 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.
Texte intégralMestres, Jordi, Douglas C. Rohrer et Gerald M. Maggiora. « Gaussian-Based Approaches to Protein-Structure Similarity ». Dans 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.
Texte intégralBajaj, Shalini, Nilofer Gerald Arakal, Manikanta Murahari et Mayur C. Yergeri. « Design Potent Telomerase Inhibitors Using Structure Based Approaches ». Dans Special Publications, 60–63. Cambridge : Royal Society of Chemistry, 2019. http://dx.doi.org/10.1039/9781839160783-00060.
Texte intégralWinkler, F. K., D. W. Banner et H. J. Böhm. « Structure-Based Approaches in Modern Drug Discovery Research ». Dans 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.
Texte intégralXu, Zhiqiang, Yunxian Cui et Baoliang Li. « Truss Structure Optimization Design Based on FE-PSO-SQP Algorithm ». Dans 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.
Texte intégralActes de conférences sur le sujet "Structure-Based approaches"
Dettwiller, Ian D., et Masoud Rais-Rohani. « Evaluation of Bayesian-Based Models for Belief Structure Representations of Epistemic Uncertainty ». Dans 2018 AIAA Non-Deterministic Approaches Conference. Reston, Virginia : American Institute of Aeronautics and Astronautics, 2018. http://dx.doi.org/10.2514/6.2018-1933.
Texte intégralNguyen, Hien, Tai Huynh, Suong Hoang, Vuong Pham et Ivan Zelinka. « Language-oriented Sentiment Analysis based on the Grammar Structure and Improved Self-attention Network ». Dans 15th International Conference on Evaluation of Novel Approaches to Software Engineering. SCITEPRESS - Science and Technology Publications, 2020. http://dx.doi.org/10.5220/0009358803390346.
Texte intégralWeisgraber, Todd H., Stuart D. C. Walsh, Kostas Karazis et Dennis Gottuso. « Multi-Scale Fluid-Structure Interaction Simulations Based on Mesoscopic Approaches ». Dans ASME 2014 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2014. http://dx.doi.org/10.1115/imece2014-38799.
Texte intégralZhao, Li, et Yan Jin. « Work Structure Based Collaborative Engineering Design ». Dans 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.
Texte intégralIvankov, Alexei A., et Mikhail A. Kurochkin. « Recognition of 3D tree crown structure based on its pictures : statistical approach ». Dans International Workshop on New Approaches to High Tech Materials : Nondestructive Testing and Computer Simulations in Materials Scienc, sous la direction de Alexander I. Melker. SPIE, 1998. http://dx.doi.org/10.1117/12.299615.
Texte intégralDeng, Li, et Helmer Strik. « Structure-based and template-based automatic speech recognition - comparing parametric and non-parametric approaches ». Dans Interspeech 2007. ISCA : ISCA, 2007. http://dx.doi.org/10.21437/interspeech.2007-327.
Texte intégralOple, 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 ». Dans ASPET 2023 Annual Meeting Abstracts. American Society for Pharmacology and Experimental Therapeutics, 2023. http://dx.doi.org/10.1124/jpet.122.527690.
Texte intégralInuiguchi, M. « Structure-based approaches to attribute reduction in variable precision rough set models ». Dans 2005 IEEE International Conference on Granular Computing. IEEE, 2005. http://dx.doi.org/10.1109/grc.2005.1547231.
Texte intégralBabichev, Andrew, et Vladimir Alexandrovich Frolov. « Structure Preserving Exemplar-Based 3D Texture Synthesis ». Dans 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.
Texte intégralFOUCHER, Philippe, Rémi Le, Amine Mansouri, Xavier Dérobert et Cyrille Fauchard. « Concrete structure inspection based on deep learning approaches from visible and radar images ». Dans Sixteenth International Conference on Quality Control by Artificial Vision, sous la direction de Jean-José Orteu et Igor Jovančević. SPIE, 2023. http://dx.doi.org/10.1117/12.2690477.
Texte intégralRapports d'organisations sur le sujet "Structure-Based approaches"
Deshpande, Mukund, Michihiro Kuramochi et George Karypis. Frequent Sub-Structure-Based Approaches for Classifying Chemical Compounds. Fort Belvoir, VA : Defense Technical Information Center, mars 2003. http://dx.doi.org/10.21236/ada439580.
Texte intégralTao, 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), septembre 2015. http://dx.doi.org/10.2172/1331817.
Texte intégralPopel, Maiia V., et Mariya P. Shyshkina. The areas of educational studies of the cloud-based learning systems. [б. в.], septembre 2019. http://dx.doi.org/10.31812/123456789/3245.
Texte intégralKennedy, Meaghan, Michaela Bonnett et Teri Garstka. A Model for Technology-Enabled Community Resilience. Orange Sparkle Ball, juin 2024. http://dx.doi.org/10.61152/plcr9111.
Texte intégralMeyer et Carson. PR-415-124508-R01 Strain-Based Design and Assessment State-of-Art Review. Chantilly, Virginia : Pipeline Research Council International, Inc. (PRCI), novembre 2012. http://dx.doi.org/10.55274/r0010796.
Texte intégralLutz, Carsten. Interval-based Temporal Reasoning with General TBoxes. Aachen University of Technology, 2000. http://dx.doi.org/10.25368/2022.109.
Texte intégralAltman, Safra, Matthew Balazik et Catherine Thomas. Eelgrass functions, services, and considerations for compensatory mitigation. Engineer Research and Development Center (U.S.), avril 2023. http://dx.doi.org/10.21079/11681/46833.
Texte intégralEdwards, Mervyn, Brian Robinson, Mike Stewart, James Hobbs et Tyler London. PPR2027 Research on Performance Test Procedures for Petroleum Road Fuel Tankers. TRL, février 2024. http://dx.doi.org/10.58446/wrwu3932.
Texte intégralAlessandro, Martín, Carlos Santiso et Mariano Lafuente. The Role of the Center of Government : A Literature Review. Inter-American Development Bank, septembre 2013. http://dx.doi.org/10.18235/0009130.
Texte intégralWeng, Shaomeng. Structure-Based Approach for Discovery of Small Molecule Inhibitors Targeted at AKT. Fort Belvoir, VA : Defense Technical Information Center, avril 2006. http://dx.doi.org/10.21236/ada466577.
Texte intégral