Auswahl der wissenschaftlichen Literatur zum Thema „Reverse docking“
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Zeitschriftenartikel zum Thema "Reverse docking"
Soto Zuluaga, Juan Pablo, Marcus Thiell und Rosa Colomé Perales. „Reverse cross-docking“. Omega 66 (Januar 2017): 48–57. http://dx.doi.org/10.1016/j.omega.2016.01.010.
Der volle Inhalt der QuelleListyani, Tiara Ajeng, und Rina Herowati. „Analisis Docking Molekuler Senyawa Derivat Phthalimide sebagai Inhibitor Non-Nukleosida HIV-1 Reverse Transcriptase“. Jurnal Farmasi Indonesia 15, Nr. 2 (01.11.2018): 123–34. http://dx.doi.org/10.31001/jfi.v15i2.445.
Der volle Inhalt der QuelleSeal, Abhik, Riju Aykkal und Mriganka Ghosh Ghosh. „Docking study of HIV-1 reverse transcriptase with phytochemicals“. Bioinformation 5, Nr. 10 (15.02.2011): 430–39. http://dx.doi.org/10.6026/97320630005430.
Der volle Inhalt der QuellePark, Kichul, und Art E. Cho. „Using reverse docking to identify potential targets for ginsenosides“. Journal of Ginseng Research 41, Nr. 4 (Oktober 2017): 534–39. http://dx.doi.org/10.1016/j.jgr.2016.10.005.
Der volle Inhalt der QuelleDA SILVA, CARLOS H. T. P., IVONE CARVALHO und CARLTON A. TAFT. „MOLECULAR DYNAMICS, DOCKING, DENSITY FUNCTIONAL, AND ADMET STUDIES OF HIV-1 REVERSE TRANSCRIPTASE INHIBITORS“. Journal of Theoretical and Computational Chemistry 05, Nr. 03 (September 2006): 579–86. http://dx.doi.org/10.1142/s0219633606002441.
Der volle Inhalt der QuelleResti, Lady Ichwana, Herman Mawengkang und Elly Rosmaini. „Mathematical Model for Vehicle Routing and Scheduling with Forward and Reverse Logistics“. Sinkron 8, Nr. 3 (01.07.2023): 1536–43. http://dx.doi.org/10.33395/sinkron.v8i3.12599.
Der volle Inhalt der QuelleWang, Yan, Aidong Wang, Jianhua Wang, Xiaoran Wu, Yijie Sun und Yan Wu. „Me-Better Drug Design Based on Nevirapine and Mechanism of Molecular Interactions with Y188C Mutant HIV-1 Reverse Transcriptase“. Molecules 27, Nr. 21 (29.10.2022): 7348. http://dx.doi.org/10.3390/molecules27217348.
Der volle Inhalt der QuelleByler, Kendall, und William Setzer. „Protein Targets of Frankincense: A Reverse Docking Analysis of Terpenoids from Boswellia Oleo-Gum Resins“. Medicines 5, Nr. 3 (31.08.2018): 96. http://dx.doi.org/10.3390/medicines5030096.
Der volle Inhalt der QuelleRuswanto, Ruswanto, Richa Mardianingrum, Siswandono Siswandono und Dini Kesuma. „Reverse Docking, Molecular Docking, Absorption, Distribution, and Toxicity Prediction of Artemisinin as an Anti-diabetic Candidate“. Molekul 15, Nr. 2 (27.07.2020): 88. http://dx.doi.org/10.20884/1.jm.2020.15.2.579.
Der volle Inhalt der QuelleRiza, Hafrizal, Andhi Fahrurroji, Arif Wicaksono, Ahmad Kharis Nugroho und Sudibyo Martono. „DOCKING STUDY OF METHYL HESPERIDIN AS NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR“. International Journal of Pharmacy and Pharmaceutical Sciences 10, Nr. 3 (01.03.2018): 85. http://dx.doi.org/10.22159/ijpps.2018v10i3.22724.
Der volle Inhalt der QuelleDissertationen zum Thema "Reverse docking"
Bologna, Fabio <1992>. „Development of reverse docking protocols for virtual screening in nanomedicine“. Doctoral thesis, Alma Mater Studiorum - Università di Bologna, 2021. http://amsdottorato.unibo.it/9932/1/bologna_fabio_tesi.pdf.
Der volle Inhalt der QuelleCOLUCCIA, Antonio. „Indolyl Aryl Sulfones, HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors: Docking and 3-D QSAR studies“. Doctoral thesis, La Sapienza, 2008. http://hdl.handle.net/11573/917519.
Der volle Inhalt der QuelleNervall, Martin. „Binding Free Energy Calculations on Ligand-Receptor Complexes Applied to Malarial Protease Inhibitors“. Doctoral thesis, Uppsala : Acta Universitatis Upsaliensis, 2007. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-8338.
Der volle Inhalt der QuelleCordonnier, Julien. „Toxoplasma gondii : identification par docking inverse sur des cibles moléculaires de composés actifs issus de ressources naturelles“. Electronic Thesis or Diss., Reims, 2024. http://www.theses.fr/2024REIMS001.
Der volle Inhalt der QuelleTree barks, by-product of forestry industry, constitute an abundant and sustainable source of natural compounds. Toxoplasma gondii is the parasite responsible for toxoplasmosis, posing a threat to fetuses, newborns, and immunocompromised individuals. The current therapeutics, limited and poorly tolerated, are now confronted to chemoresistant phenomena. This doctoral project aims to explore the chemical space associated with tree barks from the Champagne-Ardenne region, as relevant protein targets to fight T. gondii. An initial in silico evaluation using reverse docking (AMIDEv2.0) was carried out to identify biological target for triterpenes derived from betulone, isolated from the European alder, which had exhibited in vitro anti-toxoplasmosis activity. Among 87 proteins of T. gondii, CDPK3 was identified as the most probable target. Subsequently, a bank of 25 essential 3D protein structures for parasite survival, including 19 homology-modeled structures, was compiled. Thereafter, compounds from the Essential National Chemical Library were screened against this protein bank, using AMIDEv2.0. Two proteins were identified as potential targets; one of them was ATG3, a protein structure modeled from homologs with less than 50% identity. Subsequently, the barks of European Larch, whose n-heptane extract had shown significant activity (58% inhibition of parasitic growth at 100 µg/ml), were subjected to a chemical profiling. First, through a fractionation process using Centrifugal Partition Chromatography, and then a dereplication approach combining data from nuclear magnetic resonance and mass spectrometry. Tools like VersaDB and CATHEDRAL were developed to facilitate the creation of custom-databases and assess the confidence level of annotations. 52 molecules were annotated and associated with a confidence score. Simultaneously, in vitro tests demonstrated that 2 out of the 12 CPC fractions, primarily composed of terpenic derivatives, inhibited the parasite's survival by more than 40% at 25 µg/ml. Ultimately, the annotated compounds from L. decidua were subjected to AMIDEv2.0. The overlap between in vitro and in silico results highlighted 7-oxo-dehydroabietic acid and daniellic acid, strongly correlated with the in vitro inhibitory activity of the barks. CDPK1 and the SET-containing Protein are likely protein targets for these two ligands, thereby providing initial insights into their mechanism of action. These two hits are currently undergoing in vitro evaluation to verify the efficiency of developed approach during this doctoral project
Han, Chia-Jung, und 韓佳榮. „The optimal model of supply chain with reverse logistics under vendor managed inventory and cross-docking“. Thesis, 2012. http://ndltd.ncl.edu.tw/handle/09882127951008827449.
Der volle Inhalt der Quelle中原大學
工業與系統工程研究所
100
To reduce the waste of resources, the concept of reusing return products in the market has been employed, and such reverse logistics activities have been extended to supply chain system. However, using the reverse logistics activities need to consider both return products and remanufactured products, that makes supply chain management become complex and uncertain. Therefore, this study used the coordination mechanism of Vendor Managed Inventory (VMI) which can coordinate supply chain and reduce bullwhip effect to decrease the loss caused by reverse logistics. Furthermore, this study added the distribution strategy of cross-docking which is better than direct shipment and traditional warehousing. Then, the information requirement in cross-docking can be satisfied through information sharing under VMI. In this study, adding cross-docking in the supply chain with reverse logistics, then using the characteristic of VMI to construct the optimal model of supply chain. The objective of this study is to derive the optimal acquisition price of used product and the optimal order quantity to get the minimal cost of whole supply chain, then performing sensitivity analysis and hypothesis test for parameters. According to the results, retailers and distribution center achieve lower inventory cost, and vendor can reduce the cost through adjusting significant factors of remanufacturing costs for returned product and production costs for new product. Thus related industries could use the model and information in this study to make profitable decisions and achieve the objective for minimal cost of whole supply chain.
Chao, Ken-Han, und 趙根漢. „The Simulation Design and Analysis of the Integrated Cross-Docking in Forward and Reverse Logistics: Using the Urban Consolidation Centre as an Example“. Thesis, 2012. http://ndltd.ncl.edu.tw/handle/z2q3gn.
Der volle Inhalt der Quelle國立中興大學
企業管理學系所
101
The study tries to set an Urban Consolidation Centre in the suburban area that combines forward logistics and reverse logistics by cross-docking, which helps firms take their Extended Producer Responsibility(EPR)while increasing the efficiency in logistics system. We figure out some cross-docking facilities and strategies, and then compare the strategies’ performances by system simulation; we also test the effects of arrival rates of trucks, loads in trucks, and the process orders of loads on performances. The results show that in forward logistics, the strategies with pooled doors have better performances in terms of the arrival rates of trucks, while the strategies without pooled doors have better performances in terms of the loads in trucks. In reverse logistics, although changing the load processing orders can improve the performances of the strategies without pooled doors, but there’s no effect on the performances of the strategies with pooled doors. Even so, the strategies with pooled doors are still outstanding. We suggest that future studies can propose more scheduling strategies and use real data to obtain the parameters such that the simulation results become more complete.
Tambani, Tshifhiwa. „Overexpression and structure-function characterization of HIV-1 Subtype C. reverse transcriptase and protease“. Thesis, 2019. http://hdl.handle.net/11602/1423.
Der volle Inhalt der QuelleDepartment of Microbiology
High genetic diversity is a major contributory factor in the development of drug resistance, in addition to challenges in diagnosis and treatment monitoring in the therapeutics of human immunodeficiency virus (HIV) .Within the wide HIV-1 diversity, differences in mutational frequency, disease progression, drug response and transmission amongst HIV-1 subtypes have been shown. In spite HIV-1 subtype C (HIV-1C) being the most prevalent variant globally, none of the available drugs nor screening assays for inhibitory molecules have been developed targeting the genetics of this important subtype. This study therefore aimed to overexpress and biophysically characterize HIV-1C reverse transcriptase and protease to serve as reagents in the development of assays for routine screening of molecules inhibitory to HIV-1C. Heterologous expression of HIV-1C reverse transcriptase and protease isolates that are prevalent in South Africa was carried out in Escherichia coli (E. coli (BL21-DE3). The secondary and tertiary structures of the proteins were determined using, circular dichroism (CD) and fluorescence spectroscopy respectively. Thereafter, interaction studies to delineate interaction properties of natural products for possible inhibition of protease were conducted. Furthermore, in silico studies to determine binding interactions, further confirmed by in vitro binding assays of a pepsin inhibitor homolog (Bm-33) from Brugia malayi , against protease were also conducted. Expressed reverse transcriptase and protease from the globally prevalent HIV-1C were shown to be structurally and functionally intact for application in downstream HIV-1 inhibition assays. Interaction studies on the other hand revealed successful inhibition of the expressed HIV-1C PR with gallotanin. Furthermore, binding interactions of Bm-33 and HIV-1 PR revealed the first intermolecular interactions of the two molecules displaying possible inhibition of HIV-1 PR
NRF
Buchteile zum Thema "Reverse docking"
Ruiz-Moreno, Angel Jonathan, Alexander Dömling und Marco Antonio Velasco-Velázquez. „Reverse Docking for the Identification of Molecular Targets of Anticancer Compounds“. In Methods in Molecular Biology, 31–43. New York, NY: Springer US, 2020. http://dx.doi.org/10.1007/978-1-0716-0759-6_4.
Der volle Inhalt der QuelleGunawan, Aldy, Audrey Tedja Widjaja, Pieter Vansteenwegen und Vincent F. Yu. „Vehicle Routing Problem with Reverse Cross-Docking: An Adaptive Large Neighborhood Search Algorithm“. In Lecture Notes in Computer Science, 167–82. Cham: Springer International Publishing, 2020. http://dx.doi.org/10.1007/978-3-030-59747-4_11.
Der volle Inhalt der QuelleUnissa, Ameeruddin Nusrath, und Luke Elizabeth Hanna. „Computational Analysis of Reverse Transcriptase Resistance to Inhibitors in HIV-1“. In Big Data Analytics in HIV/AIDS Research, 1–20. IGI Global, 2018. http://dx.doi.org/10.4018/978-1-5225-3203-3.ch001.
Der volle Inhalt der Quelle„Docking-Based Scoring Parameters Based QSAR Modeling on a Dataset of Bisphenylbenzimidazole as Non-Nucleoside Reverse Transcriptase Inhibitor“. In Chemometrics Applications and Research, 387–412. Apple Academic Press, 2016. http://dx.doi.org/10.1201/b19853-18.
Der volle Inhalt der QuelleMolina-Gallardo, Axel R., Yesica R. Cruz-Martínez, Julieta Orozco-Martínez, Israel Valencia Quiroz und C. Tzasna Hernández-Delgado. „The Roles of Farnesol and Farnesene in Curtailing Antibiotic Resistance“. In Biotechnology and Drug Development for Targeting Human Diseases, 52–69. BENTHAM SCIENCE PUBLISHERS, 2024. http://dx.doi.org/10.2174/9789815223163124090005.
Der volle Inhalt der QuelleKonferenzberichte zum Thema "Reverse docking"
Ji, Yeye. „Application of reverse docking in traditional Chinese medicine research“. In International Conference on Biological Engineering and Medical Science (ICBIOMed2022), herausgegeben von Gary Royle und Steven M. Lipkin. SPIE, 2023. http://dx.doi.org/10.1117/12.2669488.
Der volle Inhalt der QuelleAlargić, Aleksa P., Bojan D. Levovnik und Miloš M. Svirčev. „Workflow automation of high-throughput inverse docking using Pharmmapper“. In 2nd International Conference on Chemo and Bioinformatics. Institute for Information Technologies, University of Kragujevac, 2023. http://dx.doi.org/10.46793/iccbi23.678a.
Der volle Inhalt der QuelleGunawan, Aldy, Audrey Tedja Widjaja, Pieter Vansteenwegen und Vincent F. Yu. „Vehicle Routing Problem with Forward and Reverse Cross-Docking: Formulation and Matheuristic Approach“. In 2021 IEEE 17th International Conference on Automation Science and Engineering (CASE). IEEE, 2021. http://dx.doi.org/10.1109/case49439.2021.9551486.
Der volle Inhalt der QuelleMonteiro, Alex, Marcus Scotti und Luciana Scotti. „MOLECULAR DOCKING OF FRUCTOSE-DERIVED NUCLEOSIDE ANALOGS AGAINST REVERSE TRANSCRIPTASE OF HIV-1“. In MOL2NET 2019, International Conference on Multidisciplinary Sciences, 5th edition. Basel, Switzerland: MDPI, 2019. http://dx.doi.org/10.3390/mol2net-05-06178.
Der volle Inhalt der QuelleYe, Li, Shuangxi Gu, Cheng Qian und Xiulian Ju. „3D-QASR and molecular docking study of diarylpyrimidines as HIV-1 reverse transcriptase“. In International conference on Human Health and Medical Engineering. Southampton, UK: WIT Press, 2014. http://dx.doi.org/10.2495/hhme131032.
Der volle Inhalt der QuelleZhang, Zhihong. „Value Study on the Application of Cross Docking Strategy in Recall Reverse Logistics“. In International Academic Workshop on Social Science (IAW-SC-13). Paris, France: Atlantis Press, 2013. http://dx.doi.org/10.2991/iaw-sc.2013.30.
Der volle Inhalt der QuelleWidjaja, Audrey Tedja, Aldy Gunawan, Panca Jodiawan und Vincent F. Yu. „Incorporating a Reverse Logistics Scheme in a Vehicle Routing Problem with Cross-Docking Network: A Modelling Approach“. In 2020 IEEE 7th International Conference on Industrial Engineering and Applications (ICIEA). IEEE, 2020. http://dx.doi.org/10.1109/iciea49774.2020.9101972.
Der volle Inhalt der QuelleMonteiro, Alex, Isadora Luna, Marcus Scotti und Luciana Scotti. „In silico analysis of cytotoxicity, rate of absorption and molecular docking of natural products against protease, integrase and HIV-1 reverse transcriptase“. In MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition. Basel, Switzerland: MDPI, 2018. http://dx.doi.org/10.3390/mol2net-04-05539.
Der volle Inhalt der QuelleRenault, J.-H., P. Darme, J. Cordonnier, S. Escotte-Binet, S. Remy, N. Borie, C. Sayagh et al. „Short Lecture “Combination of high-throughput reversed docking and 13C NMR-based chemical profiling for new antimicrobial compounds and potential biological target identification”“. In GA – 70th Annual Meeting 2022. Georg Thieme Verlag KG, 2022. http://dx.doi.org/10.1055/s-0042-1758981.
Der volle Inhalt der QuelleRUIZ AGUILAR, JUAN JESÚS, IGNACIO J. TURIAS, MAR CERBÁN, MARÍA JOSÉ GONZÁLEZ und ÁNGEL PULIDO. „Time analysis of the containerized cargo flow in the logistic chain using simulation tools: the case of the Port of Seville (Spain)“. In CIT2016. Congreso de Ingeniería del Transporte. Valencia: Universitat Politècnica València, 2016. http://dx.doi.org/10.4995/cit2016.2016.3083.
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