Показ 1 - 20 результатів із 62 для пошуку '"Structure-based virtual screening"', час виконання запиту: 1.67сек. Уточнити результати
  1. 1
    Exploring the ability of machine learning-based virtual screening models to identify the functional groups responsible for binding

    Exploring the ability of machine learning-based virtual screening models to identify the functional groups responsible for binding за авторством Thomas E. Hadfield, Jack Scantlebury, Charlotte M. Deane

    Опубліковано 2023-09-01
    Предмети: “...Structure-based virtual screening...”
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  2. 2
    Computational and Experimental Drug Repurposing of FDA-Approved Compounds Targeting the Cannabinoid Receptor CB1

    Computational and Experimental Drug Repurposing of FDA-Approved Compounds Targeting the Cannabinoid Receptor CB1 за авторством Emanuele Criscuolo, Maria Laura De Sciscio, Angela De Cristofaro, Catalin Nicoara, Mauro Maccarrone, Filomena Fezza

    Опубліковано 2023-12-01
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  3. 3
    OPTIMIZING STRUCTURE-BASED VIRTUAL SCREENING PROTOCOL TO IDENTIFY PHYTOCHEMICALS AS CYCLOOXYGENASE-2 INHIBITORS

    OPTIMIZING STRUCTURE-BASED VIRTUAL SCREENING PROTOCOL TO IDENTIFY PHYTOCHEMICALS AS CYCLOOXYGENASE-2 INHIBITORS за авторством Enade Perdana Istyastono

    Опубліковано 2016-07-01
    Предмети: “...Structure-based virtual screening (SBVS)...”
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  4. 4
    Discovering a novel dual specificity tyrosine-phosphorylation-regulated kinase 1A (DYRK1A) inhibitor and its impact on tau phosphorylation and amyloid-β formation

    Discovering a novel dual specificity tyrosine-phosphorylation-regulated kinase 1A (DYRK1A) inhibitor and its impact on tau phosphorylation and amyloid-β formation за авторством Huang-Ju Tu, Min-Wu Chao, Cheng-Chung Lee, Chao-Shiang Peng, Yi-Wen Wu, Tony Eight Lin, Yu-Wei Chang, Shih-Chung Yen, Kai-Cheng Hsu, Shiow-Lin Pan, Wei-Chun HuangFu

    Опубліковано 2024-12-01
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  5. 5
    PyPLIF-ASSISTED REDOCKING INDOMETHACIN-(R)-ALPHA-ETHYL-ETHANOLAMIDE INTO CYCLOOXYGENASE-1

    PyPLIF-ASSISTED REDOCKING INDOMETHACIN-(R)-ALPHA-ETHYL-ETHANOLAMIDE INTO CYCLOOXYGENASE-1 за авторством Muhammad Radifar, Nunung Yuniarti, Enade Perdana Istyastono

    Опубліковано 2013-12-01
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  6. 6
    Investigation of New Orexin 2 Receptor Modulators Using <i>In Silico</i> and In Vitro Methods

    Investigation of New Orexin 2 Receptor Modulators Using <i>In Silico</i> and In Vitro Methods за авторством Jana Janockova, Rafael Dolezal, Eugenie Nepovimova, Tereza Kobrlova, Marketa Benkova, Kamil Kuca, Jan Konecny, Eva Mezeiova, Michaela Melikova, Vendula Hepnarova, Avi Ring, Ondrej Soukup, Jan Korabecny

    Опубліковано 2018-11-01
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  7. 7
    Rational Drug Design for Pseudomonas aeruginosa PqsA Enzyme: An in silico Guided Study to Block Biofilm Formation

    Rational Drug Design for Pseudomonas aeruginosa PqsA Enzyme: An in silico Guided Study to Block Biofilm Formation за авторством Bilal Shaker, Sajjad Ahmad, Thi Duc Thai, Seong-il Eyun, Dokyun Na

    Опубліковано 2020-10-01
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  8. 8
    Natural Products Extracted from Fungal Species as New Potential Anti-Cancer Drugs: A Structure-Based Drug Repurposing Approach Targeting HDAC7

    Natural Products Extracted from Fungal Species as New Potential Anti-Cancer Drugs: A Structure-Based Drug Repurposing Approach Targeting HDAC7 за авторством Annalisa Maruca, Roberta Rocca, Raffaella Catalano, Francesco Mesiti, Giosuè Costa, Delia Lanzillotta, Alessandro Salatino, Francesco Ortuso, Francesco Trapasso, Stefano Alcaro, Anna Artese

    Опубліковано 2020-11-01
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  9. 9
    An Efficient Implementation of the Nwat-MMGBSA Method to Rescore Docking Results in Medium-Throughput Virtual Screenings

    An Efficient Implementation of the Nwat-MMGBSA Method to Rescore Docking Results in Medium-Throughput Virtual Screenings за авторством Irene Maffucci, Xiao Hu, Valentina Fumagalli, Alessandro Contini

    Опубліковано 2018-03-01
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  10. 10
    Industry-scale application and evaluation of deep learning for drug target prediction

    Industry-scale application and evaluation of deep learning for drug target prediction за авторством Noé Sturm, Andreas Mayr, Thanh Le Van, Vladimir Chupakhin, Hugo Ceulemans, Joerg Wegner, Jose-Felipe Golib-Dzib, Nina Jeliazkova, Yves Vandriessche, Stanislav Böhm, Vojtech Cima, Jan Martinovic, Nigel Greene, Tom Vander Aa, Thomas J. Ashby, Sepp Hochreiter, Ola Engkvist, Günter Klambauer, Hongming Chen

    Опубліковано 2020-04-01
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  11. 11
    Multi-stage structure-based virtual screening approach combining 3D pharmacophore, docking and molecular dynamic simulation towards the identification of potential selective PARP-1 inhibitors

    Multi-stage structure-based virtual screening approach combining 3D pharmacophore, docking and molecular dynamic simulation towards the identification of potential selective PARP-1... за авторством Mahmoud A. El Hassab, Wagdy M. Eldehna, Ghaneya S. Hassan, Sahar M. Abou-Seri

    Опубліковано 2025-02-01
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  12. 12
    Targeting PrfA from Listeria monocytogenes: A computational drug repurposing approach

    Targeting PrfA from Listeria monocytogenes: A computational drug repurposing approach за авторством Xabier Arias-Moreno

    Опубліковано 2024-12-01
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  13. 13
    In Silico Screening of Multi-Domain Targeted Inhibitors for PTK6: A Strategy Integrating Drug Repurposing and Consensus Docking

    In Silico Screening of Multi-Domain Targeted Inhibitors for PTK6: A Strategy Integrating Drug Repurposing and Consensus Docking за авторством Yujing Zhou, Ming Wah Wong

    Опубліковано 2023-12-01
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  14. 14
    Virtual Screening and ADMET Prediction to Uncover the Potency of Flavonoids from Genus <i>Erythrina</i> as Antibacterial Agent through Inhibition of Bacterial ATPase DNA Gyrase B

    Virtual Screening and ADMET Prediction to Uncover the Potency of Flavonoids from Genus <i>Erythrina</i> as Antibacterial Agent through Inhibition of Bacterial ATPase DNA Gyrase B за авторством Abd. Wahid Rizaldi Akili, Ari Hardianto, Jalifah Latip, Afri Permana, Tati Herlina

    Опубліковано 2023-12-01
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  15. 15
    A Shortcut from Genome to Drug: The Employment of Bioinformatic Tools to Find New Targets for Gastric Cancer Treatment

    A Shortcut from Genome to Drug: The Employment of Bioinformatic Tools to Find New Targets for Gastric Cancer Treatment за авторством Daiane M. S. Brito, Odnan G. Lima, Felipe P. Mesquita, Emerson L. da Silva, Maria E. A. de Moraes, Rommel M. R. Burbano, Raquel C. Montenegro, Pedro F. N. Souza

    Опубліковано 2023-09-01
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  16. 16
    Discovery and biological evaluation of novel CARM1/HDAC2 dual-targeting inhibitors with anti-prostate cancer agents

    Discovery and biological evaluation of novel CARM1/HDAC2 dual-targeting inhibitors with anti-prostate cancer agents за авторством Sudong Liang, Yifei Geng, Miao-Miao Niu, Yan Zhang, Weiping He, Jindong Li, Li Yang, Zhen Xu

    Опубліковано 2023-12-01
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  17. 17
    Discovery of potent STAT3 inhibitors using structure-based virtual screening, molecular dynamic simulation, and biological evaluation

    Discovery of potent STAT3 inhibitors using structure-based virtual screening, molecular dynamic simulation, and biological evaluation за авторством Weifeng Liu, Zhijie Chu, Cheng Yang, Tianbao Yang, Yanhui Yang, Haigang Wu, Junjun Sun

    Опубліковано 2023-11-01
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  18. 18
    Identification of novel drug targets for Helicobacter pylori: structure-based virtual screening of potential inhibitors against DAH7PS protein involved in the shikimate pathway

    Identification of novel drug targets for Helicobacter pylori: structure-based virtual screening of potential inhibitors against DAH7PS protein involved in the shikimate pathway за авторством Narjes Noori Goodarzi, Narjes Noori Goodarzi, Mahshid Khazani Asforooshani, Mahshid Khazani Asforooshani, Behzad Shahbazi, Nayereh Rezaie Rahimi, Nayereh Rezaie Rahimi, Farzad Badmasti

    Опубліковано 2024-10-01
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  19. 19
    In silico studies of natural product-like caffeine derivatives as potential MAO-B inhibitors/AA2AR antagonists for the treatment of Parkinson's disease

    In silico studies of natural product-like caffeine derivatives as potential MAO-B inhibitors/AA2AR antagonists for the treatment of Parkinson's disease за авторством Boulaamane Yassir, Ibrahim Mahmoud A. A., Britel Mohammed Reda, Maurady Amal

    Опубліковано 2022-09-01
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  20. 20
    Structure-based characterization of novel TRPV5 inhibitors

    Structure-based characterization of novel TRPV5 inhibitors за авторством Taylor ET Hughes, John Smith Del Rosario, Abhijeet Kapoor, Aysenur Torun Yazici, Yevgen Yudin, Edwin C Fluck III, Marta Filizola, Tibor Rohacs, Vera Y Moiseenkova-Bell

    Опубліковано 2019-10-01
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