Literatura académica sobre el tema "DOCKING SCORE"
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Artículos de revistas sobre el tema "DOCKING SCORE"
Kumar, Harsh, Aastha Sharma, Davinder Kumar, Minakshi Gupta Marwaha y Rakesh Kumar Marwaha. "3-(Substituted Aryl/alkyl)-5-((E)-4-((E)-(Substituted Aryl/alkyl)methyl)benzylidene) thiazolidin-2,4-dione Molecules: Design, ADME Studies and Molecular Docking Analysis as Potential Antimicrobial and Antiproliferative Agents". Asian Journal of Chemistry 34, n.º 9 (2022): 2393–405. http://dx.doi.org/10.14233/ajchem.2022.23927.
Texto completoChoi, Jieun y Juyong Lee. "V-Dock: Fast Generation of Novel Drug-like Molecules Using Machine-Learning-Based Docking Score and Molecular Optimization". International Journal of Molecular Sciences 22, n.º 21 (27 de octubre de 2021): 11635. http://dx.doi.org/10.3390/ijms222111635.
Texto completoPamungkas, Tri Setyo y Rosario Trijuliamos Manalu. "STUDI IN SILICO SENYAWA AKTIF ASAM JAWA (Tamarindus indica L.) SEBAGAI ANTIDIABETES MELALUI INHIBISI PROTEIN TYROSINE PHOSPHATASE". Jurnal Ilmiah Ibnu Sina (JIIS): Ilmu Farmasi dan Kesehatan 8, n.º 1 (31 de marzo de 2023): 134–44. http://dx.doi.org/10.36387/jiis.v8i1.1282.
Texto completoPratama, Mohammad Rizki Fadhil, Hadi Poerwono y Siswandono Siswodihardjo. "Introducing a two‐dimensional graph of docking score difference vs. similarity of ligand‐receptor interactions". Indonesian Journal of Biotechnology 26, n.º 1 (30 de marzo de 2021): 54. http://dx.doi.org/10.22146/ijbiotech.62194.
Texto completoRizma, Baiq Ressa Puspita, Yek Zen Mubarok, Dian Fathita Dwi Lestari y Agus Dwi Ananto. "Molecular Study of Antiviral Compound of Indonesian Herbal Medicine as 3CLpro and PLpro Inhibitor in SARS-COV-2". Acta Chimica Asiana 4, n.º 2 (29 de octubre de 2021): 127–34. http://dx.doi.org/10.29303/aca.v4i2.74.
Texto completoMateev, Emilio Viktorov, Iva Valkova, Maya Georgieva y Alexander Zlatkov. "Suitable Docking Protocol for the Design of Novel Coumarin Derivatives with Selective MAO-B Effects". Journal of Molecular Docking 1, n.º 1 (30 de junio de 2021): 40–47. http://dx.doi.org/10.33084/jmd.v1i1.2357.
Texto completoBajusz, Dávid, Anita Rácz y Károly Héberger. "Comparison of Data Fusion Methods as Consensus Scores for Ensemble Docking". Molecules 24, n.º 15 (24 de julio de 2019): 2690. http://dx.doi.org/10.3390/molecules24152690.
Texto completoScobie, D. R., D. O'Connell, C. A. Morris y S. M. Hickey. "A preliminary genetic analysis of breech and tail traits with the aim of improving the welfare of sheep". Australian Journal of Agricultural Research 58, n.º 2 (2007): 161. http://dx.doi.org/10.1071/ar05444.
Texto completoFeher, Miklos y Christopher I. Williams. "Reducing Docking Score Variations Arising from Input Differences". Journal of Chemical Information and Modeling 50, n.º 9 (10 de agosto de 2010): 1549–60. http://dx.doi.org/10.1021/ci100204x.
Texto completoBatool, Majda, Affifa Tajammal, Firdous Farhat, Francis Verpoort, Zafar Khattak, Mehr-un-Nisa, Muhammad Shahid et al. "Molecular Docking, Computational, and Antithrombotic Studies of Novel 1,3,4-Oxadiazole Derivatives". International Journal of Molecular Sciences 19, n.º 11 (15 de noviembre de 2018): 3606. http://dx.doi.org/10.3390/ijms19113606.
Texto completoTesis sobre el tema "DOCKING SCORE"
Guilhot-Gaudeffroy, Adrien. "Modélisation et score de complexes protéine-ARN". Thesis, Paris 11, 2014. http://www.theses.fr/2014PA112228/document.
Texto completoMy thesis shows results for the prediction of protein-RNA interactions with machine learning. An international community named CAPRI (Critical Assessment of PRedicted Interactions) regularly assesses in silico methods for the prediction of the interactions between macromolecules. Using blindpredictions within time constraints, protein-protein interactions and more recently protein-RNA interaction prediction techniques are assessed.In a first stage, we worked on curated protein-RNA benchmarks, including 120 3D structures extracted from the non redundant PRIDB (Protein-RNA Interface DataBase). We also tested the protein-RNA prediction method we designed using 40 protein-RNA complexes that were extracted from state-ofthe-art benchmarks and independent from the non redundant PRIDB complexes. Generating candidates identical to the in vivo solution with only a few 3D structures is an issue we tackled by modelling a candidate generation strategy using RNA structure perturbation in the protein-RNAcomplex. Such candidates are either near-native candidates – if they are close enough to the solution– or decoys – if they are too far away. We want to discriminate the near-native candidates from thedecoys. For the evaluation, we performed an original cross-validation process we called leave-”onepdb”-out, where there is one fold per protein-RNA complex and each fold contains the candidates generated using one complex. One of the gold standard approaches participating in the CAPRI experiment as to date is RosettaDock. RosettaDock is originally optimized for protein-proteincomplexes. For the learning step of our scoring function, we adapted and used an evolutionary algorithm called ROGER (ROC-based Genetic LearnER) to learn a logistic function. The results show that our scoring function performs much better than the original RosettaDock scoring function. Thus,we extend RosettaDock to the prediction of protein-RNA interactions. We also evaluated classifier based and metaclassifier-based approaches, which can lead to new improvements with further investigation.In a second stage, we introduced a new way to evaluate candidates using a multi-scale protocol. A candidate is geometrically represented on an atomic level – the most detailed scale – as well as on a coarse-grained level. The coarse-grained level is based on the construction of a Voronoi diagram over the coarse-grained atoms of the 3D structure. Voronoi diagrams already successfully modelled coarsegrained interactions for protein-protein complexes in the past. The idea behind the multi-scale protocolis to first find the interaction patch (epitope) between the protein and the RNA before using the time consuming and yet more precise atomic level. We modelled new scoring terms, as well as new scoring functions to evaluate generated candidates. Results are promising. Reducing the number of parameters involved and optimizing the explicit solvent model may improve the coarse-grained level predictions
Henry, Thomas. "Modélisation des interactions protéine-glycanne à l'aide des techniques d'arrimage ("docking") moléculaire". Lille 1, 2005. https://pepite-depot.univ-lille.fr/RESTREINT/Th_Num/2005/50376-2005-99.pdf.
Texto completoKUMARI, AAKRITI. "DEVELOPMENT OF NOVEL VACCINE DEVELOPMENT STRATEGY BASED ON MULTIPLE RECEPTORS INTERACTION WITH CoV2 SPIKE PROTEIN". Thesis, 2022. http://dspace.dtu.ac.in:8080/jspui/handle/repository/19161.
Texto completoSyu, Ren-Guei y 許人貴. "使用Support Vector Machine發展 SVM-Pose/SVM-Score Ensemble Docking 應用於預測N-methyl-D-aspartate的生物 活性". Thesis, 2013. http://ndltd.ncl.edu.tw/handle/27709944827659463105.
Texto completoCapítulos de libros sobre el tema "DOCKING SCORE"
Ranimol, G., C. B. Devipriya y Swetha Sunkar. "Docking and Molecular Dynamics Simulation Studies for the Evaluation of Laccase Mediated Biodegradation of Triclosan". En Proceedings of the Conference BioSangam 2022: Emerging Trends in Biotechnology (BIOSANGAM 2022), 205–13. Dordrecht: Atlantis Press International BV, 2022. http://dx.doi.org/10.2991/978-94-6463-020-6_20.
Texto completoSrivastav, Vijay Kumar, Vineet Singh y Meena Tiwari. "Recent Advancements in Docking Methodologies". En Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery, 267–94. IGI Global, 2016. http://dx.doi.org/10.4018/978-1-5225-0115-2.ch011.
Texto completoSrivastav, Vijay Kumar, Vineet Singh y Meena Tiwari. "Recent Advancements in Docking Methodologies". En Oncology, 848–75. IGI Global, 2017. http://dx.doi.org/10.4018/978-1-5225-0549-5.ch033.
Texto completoAmbure, Pravin y Kunal Roy. "Scoring Functions in Docking Experiments". En Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery, 54–98. IGI Global, 2016. http://dx.doi.org/10.4018/978-1-5225-0115-2.ch003.
Texto completoFaryna, Aliaksandr y Elena Kalinichenko. "N1-(3-(Trifluoromethyl)Phenyl) Isophthalamide Derivatives as Promising Inhibitors of Vascular Endothelial Growth Factor Receptor: Pharmacophore-Based Design, Docking, and MM-PBSA/MM-GBSA Binding Energy Estimation". En Biomedical Engineering. IntechOpen, 2022. http://dx.doi.org/10.5772/intechopen.107236.
Texto completoGarg, Saksham, Nikita Sharma y Asmita Das. "Plant-Derived Antimicrobial Peptides Are Effective in Combating the Pathogenicity of SARS-CoV-2, a Novel Therapeutic Approach". En Advances in Transdisciplinary Engineering. IOS Press, 2022. http://dx.doi.org/10.3233/atde220796.
Texto completoUnissa, Ameeruddin Nusrath y Luke Elizabeth Hanna. "Dissection of HIV-1 Protease Subtype B Inhibitors Resistance Through Molecular Modeling Approaches". En Big Data Analytics in HIV/AIDS Research, 149–70. IGI Global, 2018. http://dx.doi.org/10.4018/978-1-5225-3203-3.ch007.
Texto completoMarudhadurai, Thenmozhi y Navabshan Irfan. "Computational Investigation of Versatile Activity of Piperine". En Advances in Medical Technologies and Clinical Practice, 127–39. IGI Global, 2019. http://dx.doi.org/10.4018/978-1-5225-7326-5.ch006.
Texto completoRaoufi, Ehsan, Bahar Bahramimeimandi, Mahsa Darestanifarahani, Fatemeh Hosseini, Mohammad Salehi-Shadkami, Hossein Raoufi y Reza Afzalipour. "Docking-Based Screening of Cell-Penetrating Peptides with Antiviral Features and Ebola Virus Proteins as a Drug Discovery Approach to Develop a Treatment for Ebola Virus Disease". En Viral Outbreaks [Working Title]. IntechOpen, 2021. http://dx.doi.org/10.5772/intechopen.97222.
Texto completoKotadiya, Manisha. "Drug Repurposing: Scopes in Herbal/Natural Products-based Drug Discovery and Role of in silico Techniques". En Drug Repurposing - Advances, Scopes and Opportunities in Drug Discovery [Working Title]. IntechOpen, 2023. http://dx.doi.org/10.5772/intechopen.109821.
Texto completoActas de conferencias sobre el tema "DOCKING SCORE"
Oda, Akifumi, Shuichi Fukuyoshi, Ryoichi Nakagaki y Ohgi Takahashi. "Multi-Objective Optimizations for Selections of Protein-Ligand Docking Poses Using Pareto Optima as a Consensus Score". En Proceedings of the 12th Asia Pacific Physics Conference (APPC12). Journal of the Physical Society of Japan, 2014. http://dx.doi.org/10.7566/jpscp.1.016005.
Texto completoAbioye, Raliat, Chibuike Udenigwe y Ogadimma Okagu. "Disaggregation of islet amyloid polypeptide fibrils as a potential anti-fibrillation mechanism of tetrapeptide TNGQ". En 2022 AOCS Annual Meeting & Expo. American Oil Chemists' Society (AOCS), 2022. http://dx.doi.org/10.21748/szym9744.
Texto completoBaba, Waqas y Sajid Maqsood. "Novel antihypertensive and anticholesterolemic peptides from peptic hydrolysates of camel whey proteins". En 2022 AOCS Annual Meeting & Expo. American Oil Chemists' Society (AOCS), 2022. http://dx.doi.org/10.21748/qecs2081.
Texto completoMITOMO, DAISUKE, YOSHIFUMI FUKUNISHI, JUNICHI HIGO y HARUKI NAKAMURA. "CALCULATION OF PROTEIN–LIGAND BINDING FREE ENERGY USING SMOOTH REACTION PATH GENERATION (SRPG) METHOD: A COMPARISON OF THE EXPLICIT WATER MODEL, GB/SA MODEL AND DOCKING SCORE FUNCTION". En Proceedings of the 20th International Conference. PUBLISHED BY IMPERIAL COLLEGE PRESS AND DISTRIBUTED BY WORLD SCIENTIFIC PUBLISHING CO., 2009. http://dx.doi.org/10.1142/9781848165632_0008.
Texto completoGhowel, Ahmed Samir. "Customer’s Waste at Dry-docking". En SNAME 5th World Maritime Technology Conference. SNAME, 2015. http://dx.doi.org/10.5957/wmtc-2015-289.
Texto completoFogel, Gary B., Jonathan Tran, Stephen Johnson y David Hecht. "Machine learning approaches for customized docking scores: Modeling of inhibition of Mycobacterium tuberculosis enoyl acyl carrier protein reductase". En 2010 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology (CIBCB). IEEE, 2010. http://dx.doi.org/10.1109/cibcb.2010.5510700.
Texto completoSamir Ghowel, Ahmed. "The Concept of Floating Shipyard". En Abu Dhabi International Petroleum Exhibition & Conference. SPE, 2021. http://dx.doi.org/10.2118/207538-ms.
Texto completoLuo, Jing, You Wang, Zhao Xinyu y Jiatai Zhang. "A new conceptual design for subsea charging station". En 13th International Conference on Applied Human Factors and Ergonomics (AHFE 2022). AHFE International, 2022. http://dx.doi.org/10.54941/ahfe1002516.
Texto completoHecht, David, Mars Cheung y Gary B. Fogel. "Docking scores and QSAR using evolved neural networks for the Pan-inhibition of wild-type and mutant PfDHFR by cycloguanil derivatives". En 2009 IEEE Congress on Evolutionary Computation (CEC). IEEE, 2009. http://dx.doi.org/10.1109/cec.2009.4982957.
Texto completoLam, Chun Ping, Ming Ho Ho, Shi Pan Siu, Ka Chun Lau, Yeung Yam y Philip Wai Yan Chiu. "Implementation of a Novel Handheld Endoscopic Operation Platform (EndoGRASP)". En THE HAMLYN SYMPOSIUM ON MEDICAL ROBOTICS. The Hamlyn Centre, Imperial College London London, UK, 2023. http://dx.doi.org/10.31256/hsmr2023.20.
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