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Journal Abstract Search

1933 related items for PubMed ID: 25541527

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  • 3. Protein pharmacophore selection using hydration-site analysis.
    Hu B, Lill MA.
    J Chem Inf Model; 2012 Apr 23; 52(4):1046-60. PubMed ID: 22397751
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  • 4. Structural requirements for potential HIV-integrase inhibitors identified using pharmacophore-based virtual screening and molecular dynamics studies.
    Islam MA, Pillay TS.
    Mol Biosyst; 2016 Mar 23; 12(3):982-93. PubMed ID: 26809073
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  • 5. 3D QSAR pharmacophore based virtual screening and molecular docking for identification of potential HSP90 inhibitors.
    Sakkiah S, Thangapandian S, John S, Kwon YJ, Lee KW.
    Eur J Med Chem; 2010 Jun 23; 45(6):2132-40. PubMed ID: 20206418
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  • 6. Identification of novel HIV 1--protease inhibitors: application of ligand and structure based pharmacophore mapping and virtual screening.
    Yadav D, Paliwal S, Yadav R, Pal M, Pandey A.
    PLoS One; 2012 Jun 23; 7(11):e48942. PubMed ID: 23145032
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  • 7. First pharmacophore model of CCR3 receptor antagonists and its homology model-assisted, stepwise virtual screening.
    Jain V, Saravanan P, Arvind A, Mohan CG.
    Chem Biol Drug Des; 2011 May 23; 77(5):373-87. PubMed ID: 21284830
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  • 8. Molecular dynamics-based virtual screening: accelerating the drug discovery process by high-performance computing.
    Ge H, Wang Y, Li C, Chen N, Xie Y, Xu M, He Y, Gu X, Wu R, Gu Q, Zeng L, Xu J.
    J Chem Inf Model; 2013 Oct 28; 53(10):2757-64. PubMed ID: 24001302
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  • 9. Molecular modeling of the 3D structure of 5-HT(1A)R: discovery of novel 5-HT(1A)R agonists via dynamic pharmacophore-based virtual screening.
    Xu L, Zhou S, Yu K, Gao B, Jiang H, Zhen X, Fu W.
    J Chem Inf Model; 2013 Dec 23; 53(12):3202-11. PubMed ID: 24245825
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  • 11. Exploration of New and Potent Lead Molecules Against CAAX Prenyl Protease I of Leishmania donovani Through Pharmacophore Based Virtual Screening Approach.
    Prabhu SV, Tiwari K, Suryanarayanan V, Dubey VK, Singh SK.
    Comb Chem High Throughput Screen; 2017 Dec 23; 20(3):255-271. PubMed ID: 28116998
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  • 13. Virtual Screening for HIV Protease Inhibitors Using a Novel Database Filtering Procedure.
    Takkis K, García-Sosa AT, Sild S.
    Mol Inform; 2015 Jun 23; 34(6-7):485-92. PubMed ID: 27490392
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  • 16. High throughput virtual screening and E-pharmacophore filtering in the discovery of new BACE-1 inhibitors.
    Muthusamy K, Singh KhD, Chinnasamy S, Nagamani S, Krishnasamy G, Thiyagarajan C, Premkumar P, Anusuyadevi M.
    Interdiscip Sci; 2013 Jun 23; 5(2):119-26. PubMed ID: 23740393
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  • 18. Computational design of novel fullerene analogues as potential HIV-1 PR inhibitors: Analysis of the binding interactions between fullerene inhibitors and HIV-1 PR residues using 3D QSAR, molecular docking and molecular dynamics simulations.
    Durdagi S, Mavromoustakos T, Chronakis N, Papadopoulos MG.
    Bioorg Med Chem; 2008 Dec 01; 16(23):9957-74. PubMed ID: 18996019
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  • 19. 3D-QSAR pharmacophore-based virtual screening, molecular docking and molecular dynamics simulation toward identifying lead compounds for NS2B-NS3 protease inhibitors.
    Luo PH, Zhang XR, Huang L, Yuan L, Zhou XZ, Gao X, Li LS.
    J Recept Signal Transduct Res; 2017 Oct 01; 37(5):481-492. PubMed ID: 28758854
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  • 20. Pharmacophore-based virtual screening approach for identification of potent natural modulatory compounds of human Toll-like receptor 7.
    Gupta CL, Babu Khan M, Ampasala DR, Akhtar S, Dwivedi UN, Bajpai P.
    J Biomol Struct Dyn; 2019 Nov 01; 37(18):4721-4736. PubMed ID: 30661449
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