Search Results - "docking"

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  1. 1
    Identification of novel peroxisome proliferator-activated receptor-gamma (PPAR[gamma]) agonists using molecular modeling method

    Identification of novel peroxisome proliferator-activated receptor-gamma (PPAR[gamma]) agonists using molecular modeling method by Kumar, Alan Prem

    Published 2014
    Subjects: “…Docking…”
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  2. 2
    Design, synthesis and SAR exploration of tri-substituted 1,2,4-triazoles as inhibitors of the annexin A2–S100A10 protein interaction

    Design, synthesis and SAR exploration of tri-substituted 1,2,4-triazoles as inhibitors of the annexin A2–S100A10 protein interaction by Reddy, Tummala R.K., Li, Chan, Guo, Xiaoxia, Fischer, Peter M., Dekker, Lodewijk V.

    Published 2014
    Subjects: “…S100 proteins; Annexins; Docking; Triazole…”
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  3. 3
    The molecular binding interactions of inhibitors and activators of phosphoenolpyruvate carboxylase

    The molecular binding interactions of inhibitors and activators of phosphoenolpyruvate carboxylase by Mancera, Ricardo, Carrington, B.

    Published 2005
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  4. 4
    Peptide inhibitors of xenoreactive antibodies mimic the interaction profile of the native carbohydrate antigens

    Peptide inhibitors of xenoreactive antibodies mimic the interaction profile of the native carbohydrate antigens by Agostino, Mark, Sandrin, M., Thompson, P., Ramsland, P., Yuriev, E.

    Published 2011
    Subjects: “…docking…”
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  5. 5
    A computational approach for exploring carbohydrate recognition by lectins in innate immunity

    A computational approach for exploring carbohydrate recognition by lectins in innate immunity by Agostino, Mark, Yuriev, E., Ramsland, P.

    Published 2011
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  6. 6
    Cytotoxicity, antimutagenicity and molecular docking of benzimidazole derivatives as anticancer agents

    Cytotoxicity, antimutagenicity and molecular docking of benzimidazole derivatives as anticancer agents by Azahar, Nurul Hafizan

    Published 2021
    Subjects: “…Molecular Docking Simulation…”
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  7. 7
    In-vitro and in-silico selection of DNA-based aptamer towards pork detection using SELEX

    In-vitro and in-silico selection of DNA-based aptamer towards pork detection using SELEX by Mohamad, Nornazliya

    Published 2024
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  8. 8
    Engineering of artificial metalloenzymes based on alcohol dehydrogenase scaffold

    Engineering of artificial metalloenzymes based on alcohol dehydrogenase scaffold by Martins, Floriane

    Published 2021
    Subjects: “…artificial metalloenzyme; docking; biocatalysis; alcohol dehydrogenase; Imine reduction…”
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  9. 9
    Novel Structural Features of CDK Inhibition Revealed by an ab Initio Computational MethodCombined with Dynamic Simulations

    Novel Structural Features of CDK Inhibition Revealed by an ab Initio Computational MethodCombined with Dynamic Simulations by Heady, L., Fernandez-Serra, M., Mancera, Ricardo, Joyce, S., Venkitaraman, A., Artacho, E., Skylaris, C., Ciacchi, L., Payne, M.

    Published 2006
    Subjects: “…docking…”
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  10. 10
    Molecular docking and molecular dynamic simulation of 1,3-Benzoxazine derivatives against penicillin binding protein 2A of methicillin-resistant Staphlyococcus aureus

    Molecular docking and molecular dynamic simulation of 1,3-Benzoxazine derivatives against penicillin binding protein 2A of methicillin-resistant Staphlyococcus aureus by Alharbi, Nourah Jamaan H

    Published 2023
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  11. 11
    Similarity- and substructure-based development of β2-adrenergic receptor ligands based on unusual scaffolds

    Similarity- and substructure-based development of β2-adrenergic receptor ligands based on unusual scaffolds by Schmidt, Denis, Gunera, Jakub, Baker, Jillian G., Kolb, Peter

    Published 2017
    Subjects: “…Docking; SAR-by-catalog; Similarity searches; β2-adrenergic receptor…”
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  12. 12
    Development and application of site mapping methods for the design of glycosaminoglycans

    Development and application of site mapping methods for the design of glycosaminoglycans by Agostino, Mark, Gandhi, Neha, Mancera, Ricardo

    Published 2014
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  13. 13
    Assessment of the protein interaction between coagulation factor XII and corn trypsin inhibitor by molecular docking and biochemical validation

    Assessment of the protein interaction between coagulation factor XII and corn trypsin inhibitor by molecular docking and biochemical validation by Hamad, Badraldin K., Pathak, Monika, Manna, Rosa, Fischer, Peter M., Emsley, Jonas, Dekker, Lodewijk V.

    Published 2017
    Subjects: “…corn trypsin inhibitor; factor XII; molecular docking simulation; serine protease; trypsin…”
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  14. 14
    Challenges and advances in computational docking: 2009 in review

    Challenges and advances in computational docking: 2009 in review by Yuriev, E., Agostino, Mark, Ramsland, P.

    Published 2011
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  15. 15
    GPCRs through the keyhole: the role of protein flexibility in ligand binding to β-adrenoceptors

    GPCRs through the keyhole: the role of protein flexibility in ligand binding to β-adrenoceptors by Emtage, Abigail L., Mistry, Shailesh N., Fischer, Peter M., Kellam, Barrie, Laughton, Charles A.

    Published 2016
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  16. 16
    Use of Computational Methods To Understand The Pattern Of Antimicrobial Resistance

    Use of Computational Methods To Understand The Pattern Of Antimicrobial Resistance by Chio, Hok In

    Published 2024
    Subjects: “…High dimension reduction methods; Database analysis; Penicillin; Metabolites resistance; Molecular docking; Molecular dynamics…”
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  17. 17
    Residues contributing to drug transport by ABCG2 are localised to multiple drug-binding pockets

    Residues contributing to drug transport by ABCG2 are localised to multiple drug-binding pockets by Cox, Megan H., Kapoor, Parth, Briggs, Deborah A., Kerr, Ian D.

    Published 2018
    Subjects: “…ATP binding cassette; BCRP; ABCG2; Pharmacology; Specificity; Flow cytometry; Structure; Docking; Binding pocket; Asymmetry…”
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  18. 18
    Helix 6 of subdomain III A of human serum albumin is the region primarily photolabeled by ketoprofen, an arylpropionic acid NSAID containing a benzophenone moiety

    Helix 6 of subdomain III A of human serum albumin is the region primarily photolabeled by ketoprofen, an arylpropionic acid NSAID containing a benzophenone moiety by Chuang, Victor, Kuniyasu, A., Nakayama, H., Matsushita, Y., Hirono, S., Otagiri, M

    Published 1999
    Subjects: Get full text
  19. 19
    3D-QSAR studies of checkpoint kinase 1 inhibitors based on molecular docking and CoMFA

    3D-QSAR studies of checkpoint kinase 1 inhibitors based on molecular docking and CoMFA by Wang, R., Zhou, L., Zuo, Zhili, Ma, X., Yang, M.

    Published 2010
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  20. 20
    Improving the efficiency of material flows in an Independent Timber & Builders’ Merchants Business via the implementation of a new dedicated Goods Inward/Outward facility featuring Cross-Dock methodology

    Improving the efficiency of material flows in an Independent Timber & Builders’ Merchants Business via the implementation of a new dedicated Goods Inward/Outward facility featuring... by Hale, Jacob

    Published 2012
    Subjects: Get full text

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