Littérature scientifique sur le sujet « Reverse docking »
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Articles de revues sur le sujet "Reverse docking"
Soto Zuluaga, Juan Pablo, Marcus Thiell et Rosa Colomé Perales. « Reverse cross-docking ». Omega 66 (janvier 2017) : 48–57. http://dx.doi.org/10.1016/j.omega.2016.01.010.
Texte intégralListyani, Tiara Ajeng, et Rina Herowati. « Analisis Docking Molekuler Senyawa Derivat Phthalimide sebagai Inhibitor Non-Nukleosida HIV-1 Reverse Transcriptase ». Jurnal Farmasi Indonesia 15, no 2 (1 novembre 2018) : 123–34. http://dx.doi.org/10.31001/jfi.v15i2.445.
Texte intégralSeal, Abhik, Riju Aykkal et Mriganka Ghosh Ghosh. « Docking study of HIV-1 reverse transcriptase with phytochemicals ». Bioinformation 5, no 10 (15 février 2011) : 430–39. http://dx.doi.org/10.6026/97320630005430.
Texte intégralPark, Kichul, et Art E. Cho. « Using reverse docking to identify potential targets for ginsenosides ». Journal of Ginseng Research 41, no 4 (octobre 2017) : 534–39. http://dx.doi.org/10.1016/j.jgr.2016.10.005.
Texte intégralDA SILVA, CARLOS H. T. P., IVONE CARVALHO et CARLTON A. TAFT. « MOLECULAR DYNAMICS, DOCKING, DENSITY FUNCTIONAL, AND ADMET STUDIES OF HIV-1 REVERSE TRANSCRIPTASE INHIBITORS ». Journal of Theoretical and Computational Chemistry 05, no 03 (septembre 2006) : 579–86. http://dx.doi.org/10.1142/s0219633606002441.
Texte intégralResti, Lady Ichwana, Herman Mawengkang et Elly Rosmaini. « Mathematical Model for Vehicle Routing and Scheduling with Forward and Reverse Logistics ». Sinkron 8, no 3 (1 juillet 2023) : 1536–43. http://dx.doi.org/10.33395/sinkron.v8i3.12599.
Texte intégralWang, Yan, Aidong Wang, Jianhua Wang, Xiaoran Wu, Yijie Sun et Yan Wu. « Me-Better Drug Design Based on Nevirapine and Mechanism of Molecular Interactions with Y188C Mutant HIV-1 Reverse Transcriptase ». Molecules 27, no 21 (29 octobre 2022) : 7348. http://dx.doi.org/10.3390/molecules27217348.
Texte intégralByler, Kendall, et William Setzer. « Protein Targets of Frankincense : A Reverse Docking Analysis of Terpenoids from Boswellia Oleo-Gum Resins ». Medicines 5, no 3 (31 août 2018) : 96. http://dx.doi.org/10.3390/medicines5030096.
Texte intégralRuswanto, Ruswanto, Richa Mardianingrum, Siswandono Siswandono et Dini Kesuma. « Reverse Docking, Molecular Docking, Absorption, Distribution, and Toxicity Prediction of Artemisinin as an Anti-diabetic Candidate ». Molekul 15, no 2 (27 juillet 2020) : 88. http://dx.doi.org/10.20884/1.jm.2020.15.2.579.
Texte intégralRiza, Hafrizal, Andhi Fahrurroji, Arif Wicaksono, Ahmad Kharis Nugroho et Sudibyo Martono. « DOCKING STUDY OF METHYL HESPERIDIN AS NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR ». International Journal of Pharmacy and Pharmaceutical Sciences 10, no 3 (1 mars 2018) : 85. http://dx.doi.org/10.22159/ijpps.2018v10i3.22724.
Texte intégralThèses sur le sujet "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.
Texte intégralCOLUCCIA, 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.
Texte intégralNervall, 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.
Texte intégralCordonnier, 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.
Texte intégralTree 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, et 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.
Texte intégral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, et 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.
Texte intégral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.
Texte intégralDepartment 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
Chapitres de livres sur le sujet "Reverse docking"
Ruiz-Moreno, Angel Jonathan, Alexander Dömling et Marco Antonio Velasco-Velázquez. « Reverse Docking for the Identification of Molecular Targets of Anticancer Compounds ». Dans Methods in Molecular Biology, 31–43. New York, NY : Springer US, 2020. http://dx.doi.org/10.1007/978-1-0716-0759-6_4.
Texte intégralGunawan, Aldy, Audrey Tedja Widjaja, Pieter Vansteenwegen et Vincent F. Yu. « Vehicle Routing Problem with Reverse Cross-Docking : An Adaptive Large Neighborhood Search Algorithm ». Dans Lecture Notes in Computer Science, 167–82. Cham : Springer International Publishing, 2020. http://dx.doi.org/10.1007/978-3-030-59747-4_11.
Texte intégralUnissa, Ameeruddin Nusrath, et Luke Elizabeth Hanna. « Computational Analysis of Reverse Transcriptase Resistance to Inhibitors in HIV-1 ». Dans Big Data Analytics in HIV/AIDS Research, 1–20. IGI Global, 2018. http://dx.doi.org/10.4018/978-1-5225-3203-3.ch001.
Texte intégral« Docking-Based Scoring Parameters Based QSAR Modeling on a Dataset of Bisphenylbenzimidazole as Non-Nucleoside Reverse Transcriptase Inhibitor ». Dans Chemometrics Applications and Research, 387–412. Apple Academic Press, 2016. http://dx.doi.org/10.1201/b19853-18.
Texte intégralMolina-Gallardo, Axel R., Yesica R. Cruz-Martínez, Julieta Orozco-Martínez, Israel Valencia Quiroz et C. Tzasna Hernández-Delgado. « The Roles of Farnesol and Farnesene in Curtailing Antibiotic Resistance ». Dans Biotechnology and Drug Development for Targeting Human Diseases, 52–69. BENTHAM SCIENCE PUBLISHERS, 2024. http://dx.doi.org/10.2174/9789815223163124090005.
Texte intégralActes de conférences sur le sujet "Reverse docking"
Ji, Yeye. « Application of reverse docking in traditional Chinese medicine research ». Dans International Conference on Biological Engineering and Medical Science (ICBIOMed2022), sous la direction de Gary Royle et Steven M. Lipkin. SPIE, 2023. http://dx.doi.org/10.1117/12.2669488.
Texte intégralAlargić, Aleksa P., Bojan D. Levovnik et Miloš M. Svirčev. « Workflow automation of high-throughput inverse docking using Pharmmapper ». Dans 2nd International Conference on Chemo and Bioinformatics. Institute for Information Technologies, University of Kragujevac, 2023. http://dx.doi.org/10.46793/iccbi23.678a.
Texte intégralGunawan, Aldy, Audrey Tedja Widjaja, Pieter Vansteenwegen et Vincent F. Yu. « Vehicle Routing Problem with Forward and Reverse Cross-Docking : Formulation and Matheuristic Approach ». Dans 2021 IEEE 17th International Conference on Automation Science and Engineering (CASE). IEEE, 2021. http://dx.doi.org/10.1109/case49439.2021.9551486.
Texte intégralMonteiro, Alex, Marcus Scotti et Luciana Scotti. « MOLECULAR DOCKING OF FRUCTOSE-DERIVED NUCLEOSIDE ANALOGS AGAINST REVERSE TRANSCRIPTASE OF HIV-1 ». Dans MOL2NET 2019, International Conference on Multidisciplinary Sciences, 5th edition. Basel, Switzerland : MDPI, 2019. http://dx.doi.org/10.3390/mol2net-05-06178.
Texte intégralYe, Li, Shuangxi Gu, Cheng Qian et Xiulian Ju. « 3D-QASR and molecular docking study of diarylpyrimidines as HIV-1 reverse transcriptase ». Dans International conference on Human Health and Medical Engineering. Southampton, UK : WIT Press, 2014. http://dx.doi.org/10.2495/hhme131032.
Texte intégralZhang, Zhihong. « Value Study on the Application of Cross Docking Strategy in Recall Reverse Logistics ». Dans International Academic Workshop on Social Science (IAW-SC-13). Paris, France : Atlantis Press, 2013. http://dx.doi.org/10.2991/iaw-sc.2013.30.
Texte intégralWidjaja, Audrey Tedja, Aldy Gunawan, Panca Jodiawan et Vincent F. Yu. « Incorporating a Reverse Logistics Scheme in a Vehicle Routing Problem with Cross-Docking Network : A Modelling Approach ». Dans 2020 IEEE 7th International Conference on Industrial Engineering and Applications (ICIEA). IEEE, 2020. http://dx.doi.org/10.1109/iciea49774.2020.9101972.
Texte intégralMonteiro, Alex, Isadora Luna, Marcus Scotti et Luciana Scotti. « In silico analysis of cytotoxicity, rate of absorption and molecular docking of natural products against protease, integrase and HIV-1 reverse transcriptase ». Dans MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition. Basel, Switzerland : MDPI, 2018. http://dx.doi.org/10.3390/mol2net-04-05539.
Texte intégralRenault, 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” ». Dans GA – 70th Annual Meeting 2022. Georg Thieme Verlag KG, 2022. http://dx.doi.org/10.1055/s-0042-1758981.
Texte intégralRUIZ AGUILAR, JUAN JESÚS, IGNACIO J. TURIAS, MAR CERBÁN, MARÍA JOSÉ GONZÁLEZ et ÁNGEL PULIDO. « Time analysis of the containerized cargo flow in the logistic chain using simulation tools : the case of the Port of Seville (Spain) ». Dans CIT2016. Congreso de Ingeniería del Transporte. Valencia : Universitat Politècnica València, 2016. http://dx.doi.org/10.4995/cit2016.2016.3083.
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