يعرض 1 - 10 نتائج من 39,561 نتيجة بحث عن '"Molecular Modeling"', وقت الاستعلام: 0.99s تنقيح النتائج
  1. 1
    رسالة جامعية
    Development and application of computational tools for the coupled exploration of chemical and biological spaces

    المؤلفون: Sánchez Aparicio, José Emilio

    مرشدي الرسالة: Pierre Marechal, Jean Didier

    المصدر: TDX (Tesis Doctorals en Xarxa)

    مصطلحات موضوعية: Espais bioquímics, Espacios bioquímicos, Biochemical spaces, Modelatge molecular, Modelado molecular, Molecular modeling, Algorismes evolutius, Algoritmos evolutivos, Evolutionary algorithms, Ciències Experimentals

    وصف الملف: application/pdf

    URL الوصول: http://hdl.handle.net/10803/688038

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  2. 2
    مؤتمر
    GEP-DL4Mol: A Novel Molecular Deep-learning Model Optimization Framework for Boosting Molecular Properties Prediction*

    المؤلفون: Peng, Yuzhong, Zhang, Hao, Zhang, Ziqiao, Lin, Yanmei, Zhou, Shuigeng, Qiao, Shaojie

    المصدر: 2023 IEEE International Conference on Bioinformatics and Biomedicine (BIBM) Bioinformatics and Biomedicine (BIBM), 2023 IEEE International Conference on. :432-435 Dec, 2023

    Relation: 2023 IEEE International Conference on Bioinformatics and Biomedicine (BIBM)

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  3. 3
    رسالة جامعية
    Molecular Modeling of Encapsulation and Catalysis in Supramolecular Metallocages

    المؤلفون: Norjmaa, Gantulga

    مرشدي الرسالة: ganaajek@gmail.com, Maréchal, Jean-Didier, Ujaque Pérez, Gregori

    المصدر: TDX (Tesis Doctorals en Xarxa)

    مصطلحات موضوعية: Catàlisi supramolecular, Catálisis supramolecular, Supramolecular catalysis, Modelatge molecular, Modelaje molecular, Molecular modeling, Encapsulació de cations, Encapsulación de cationes, Cation encapsulation, Ciències Experimentals

    وصف الملف: application/pdf

    URL الوصول: http://hdl.handle.net/10803/675155

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  4. 4
    دورية أكاديمية
    Quinolinyl-based multitarget-directed ligands with soluble epoxide hydrolase and fatty acid amide hydrolase inhibitory activities: Synthetic studies and pharmacological evaluations

    المؤلفون: Angelia, Jeannes, Duong, Leah, Yun, Faye, Mesic, Anesa, Yuan, Cassandra, Carr, Daniel, Gunari, Siena, Hudson, Paula K, Morisseau, Christophe, Hammock, Bruce D, Kandasamy, Ram, Pecic, Stevan

    المصدر: Heliyon. 10(11)

    مصطلحات موضوعية: Pharmacology and Pharmaceutical Sciences, Biomedical and Clinical Sciences, Medicinal and Biomolecular Chemistry, Chemical Sciences, Pain Research, Chronic Pain, 5.1 Pharmaceuticals, Development of treatments and therapeutic interventions, Structure -activity relationship study, Enzyme inhibition, Multi -target directed ligands, Microwave -assisted synthesis, Suzuki coupling reaction, Molecular modeling, Formalin test, Microwave-assisted synthesis, Multi-target directed ligands, Structure-activity relationship study, enzyme inhibition, Multi-target Directed Ligands, microwave-assisted synthesis, formalin test

    وصف الملف: application/pdf

    URL الوصول: https://escholarship.org/uc/item/1h7851c8
    https://escholarship.org/content/qt1h7851c8/qt1h7851c8.pdf

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  5. 5
    مؤتمر
    Predicting Chemical Reaction Product by Graph Transformer

    المؤلفون: Makino, Shunya, Yasuo, Nobuaki, Sekijima, Masakazu

    المصدر: 2023 Congress in Computer Science, Computer Engineering, & Applied Computing (CSCE) CSCE Computer Science, Computer Engineering, & Applied Computing (CSCE), 2023 Congress in. :2147-2152 Jul, 2023

    Relation: 2023 Congress in Computer Science, Computer Engineering, & Applied Computing (CSCE)

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  6. 6
    دورية أكاديمية
    Radiocomplexation, Quality Control and Bioevaluation of [99mTc]tricarbonyl Rolipram for Brain Imaging in Mice

    المؤلفون: Sanad, M. H.Aff1, Aff5, IDs11094024031902_cor1, Eyssa, H. M.Aff2, Aff5, Abd-Elhaliem, S. M.Aff1, Aff5, IDs11094024031902_cor3, Farag, A. B.Aff3, Aff5, Bassem, Sabry A.Aff4, Aff5

    المصدر: Pharmaceutical Chemistry Journal. :1-9

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  7. 7
    دورية أكاديمية
    Addressing multi-molecule field-coupled nanocomputing for neural networks with SCERPA

    المؤلفون: Ravera, FedericoAff1, IDs1082502402189y_cor1, Beretta, Giuliana, Ardesi, Yuri, Graziano, Mariagrazia, Piccinini, Gianluca

    المصدر: Journal of Computational Electronics. 23(4):910-919

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  8. 8
    دورية أكاديمية
    Identifying optimal amorphous materials for fluoride removal through Monte Carlo and neural network modeling

    المؤلفون: Peng, XuanAff1, Aff2, IDs10450024004961_cor1

    المصدر: Adsorption: Journal of the International Adsorption Society. 30(6):1213-1224

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  9. 9
    دورية أكاديمية
    Microwave-assisted synthesis of 2,5-dioxo-pyrano[3,2-c]quinoline-3-carboxylates and their investigation as antiproliferative agents targeting EGFR and/or BRAFV600E

    المؤلفون: Aly, Ashraf A.Aff1, IDs11696024035999_cor1, El-Naby, Hisham A. Abd, Ahmed, Essam Kh., Shaker, Raafat M., Gedamy, Sageda A., Youssif, Bahaa G. M., Gomaa, Hesham A. M., Fuhr, Olaf, Brown, Alan B., Ibrahim, Mahmoud A. A.Aff1, Aff6, El-Haleem, Lamiaa E. Abd

    المصدر: Chemical Papers. :1-13

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  10. 10
    دورية أكاديمية
    Biological Applications, In Vitro Cytotoxicity, Cellular Uptake, and Apoptotic Pathway Studies Induced by Ternary Cu (II) Complexes Involving Triflupromazine with Biorelevant Ligands

    المؤلفون: Sultan, Nourhan S., Shoukry, Azza A., Rashidi, Fatma B., Elhakim, Heba K. A.Aff3, IDs12013024013769_cor4

    المصدر: Cell Biochemistry and Biophysics. :1-21

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