Showing 1 - 7 results of 7 for search '"Drug docking"', query time: 0.31s Refine Results
  1. 1
    Docking, MD Simulations, and DFT Calculations: Assessing W254’s Function and Sartan Binding in Furin

    Docking, MD Simulations, and DFT Calculations: Assessing W254’s Function and Sartan Binding in Furin by Nikitas Georgiou, Thomas Mavromoustakos, Demeter Tzeli

    Published 2024-07-01
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  2. 2
    GC–MS analysis of Lactobacillus plantarum YW11 metabolites and its computational analysis on familial pulmonary fibrosis hub genes

    GC–MS analysis of Lactobacillus plantarum YW11 metabolites and its computational analysis on familial pulmonary fibrosis hub genes by Naveed Muhammad, Jamil Hamza, Aziz Tariq, Makhdoom Syeda Izma, Sarwar Abid, Nasbeeb Jasra, Zhennai Yang, Alharbi Metab

    Published 2024-05-01
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  3. 3
    Cluster-based text mining for extracting drug candidates for the prevention of COVID-19 from the biomedical literature

    Cluster-based text mining for extracting drug candidates for the prevention of COVID-19 from the biomedical literature by Ahmad Afif Supianto, Ph.D, Rizky Nurdiansyah, M.Si, Chia-Wei Weng, Ph.D, Vicky Zilvan, M.T., Raden Sandra Yuwana, M.T., Andria Arisal, MEDC, Hilman Ferdinandus Pardede, Ph.D, Min-Min Lee, Ph.D, Chien-Hung Huang, Ph.D, Ka-Lok Ng, Ph.D

    Published 2023-08-01
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  4. 4
    Potential treatment with Chinese and Western medicine targeting NSP14 of SARS-CoV-2

    Potential treatment with Chinese and Western medicine targeting NSP14 of SARS-CoV-2 by Chao Liu, Xiaoxiao Zhu, Yiyao Lu, Xianqin Zhang, Xu Jia, Tai Yang

    Published 2021-06-01
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  5. 5
    Exploring Tau Fibril-Disaggregating and Antioxidating Molecules Binding to Membrane-Bound Amyloid Oligomers Using Machine Learning-Enhanced Docking and Molecular Dynamics

    Exploring Tau Fibril-Disaggregating and Antioxidating Molecules Binding to Membrane-Bound Amyloid Oligomers Using Machine Learning-Enhanced Docking and Molecular Dynamics by Luthary Segura, Natalia Santos, Rafael Flores, Donald Sikazwe, Miles McGibbon, Vincent Blay, Kwan H. Cheng

    Published 2024-06-01
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  6. 6
    W254 in furin functions as a molecular gate promoting anti-viral drug binding: Elucidation of putative drug tunneling and docking by non-equilibrium molecular dynamics

    W254 in furin functions as a molecular gate promoting anti-viral drug binding: Elucidation of putative drug tunneling and docking by non-equilibrium molecular dynamics by Harry Ridgway, John D. Orbell, Minos-Timotheos Matsoukas, Konstantinos Kelaidonis, Graham J. Moore, Sotiris Tsiodras, Vasilis G. Gorgoulis, Christos T. Chasapis, Vasso Apostolopoulos, John M. Matsoukas

    Published 2023-01-01
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  7. 7
    Computation-based virtual screening for designing novel antimalarial drugs by targeting falcipain-III: A structure-based drug designing approach

    Computation-based virtual screening for designing novel antimalarial drugs by targeting falcipain-III: A structure-based drug designing approach by Rajesh Kumar Kesharwani, Durg Vijay Singh, Krishna Misra

    Published 2013-04-01
    Subjects: “…Antimalarial drugs; docking; falcipain-III; ligbuilder; Plasmodium falciparum; virtual screening…”
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