These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Journal Abstract Search

299 related items for PubMed ID: 22486340

  • 1. Ligand-based virtual screening approach using a new scoring function.
    Hamza A, Wei NN, Zhan CG.
    J Chem Inf Model; 2012 Apr 23; 52(4):963-74. PubMed ID: 22486340
    [Abstract] [Full Text] [Related]

  • 2. A novel and efficient ligand-based virtual screening approach using the HWZ scoring function and an enhanced shape-density model.
    Hamza A, Wei NN, Hao C, Xiu Z, Zhan CG.
    J Biomol Struct Dyn; 2013 Apr 23; 31(11):1236-50. PubMed ID: 23140256
    [Abstract] [Full Text] [Related]

  • 3. Structure-based virtual screening of the nociceptin receptor: hybrid docking and shape-based approaches for improved hit identification.
    Daga PR, Polgar WE, Zaveri NT.
    J Chem Inf Model; 2014 Oct 27; 54(10):2732-43. PubMed ID: 25148595
    [Abstract] [Full Text] [Related]

  • 4. LIGSIFT: an open-source tool for ligand structural alignment and virtual screening.
    Roy A, Skolnick J.
    Bioinformatics; 2015 Feb 15; 31(4):539-44. PubMed ID: 25336501
    [Abstract] [Full Text] [Related]

  • 5. Ligity: A Non-Superpositional, Knowledge-Based Approach to Virtual Screening.
    Ebejer JP, Finn PW, Wong WK, Deane CM, Morris GM.
    J Chem Inf Model; 2019 Jun 24; 59(6):2600-2616. PubMed ID: 31117509
    [Abstract] [Full Text] [Related]

  • 6. Toward fully automated high performance computing drug discovery: a massively parallel virtual screening pipeline for docking and molecular mechanics/generalized Born surface area rescoring to improve enrichment.
    Zhang X, Wong SE, Lightstone FC.
    J Chem Inf Model; 2014 Jan 27; 54(1):324-37. PubMed ID: 24358939
    [Abstract] [Full Text] [Related]

  • 7. Beware of machine learning-based scoring functions-on the danger of developing black boxes.
    Gabel J, Desaphy J, Rognan D.
    J Chem Inf Model; 2014 Oct 27; 54(10):2807-15. PubMed ID: 25207678
    [Abstract] [Full Text] [Related]

  • 8. Fast Rescoring Protocols to Improve the Performance of Structure-Based Virtual Screening Performed on Protein-Protein Interfaces.
    Singh N, Chaput L, Villoutreix BO.
    J Chem Inf Model; 2020 Aug 24; 60(8):3910-3934. PubMed ID: 32786511
    [Abstract] [Full Text] [Related]

  • 9. Cheminformatics meets molecular mechanics: a combined application of knowledge-based pose scoring and physical force field-based hit scoring functions improves the accuracy of structure-based virtual screening.
    Hsieh JH, Yin S, Wang XS, Liu S, Dokholyan NV, Tropsha A.
    J Chem Inf Model; 2012 Jan 23; 52(1):16-28. PubMed ID: 22017385
    [Abstract] [Full Text] [Related]

  • 10. FINDSITE(comb): a threading/structure-based, proteomic-scale virtual ligand screening approach.
    Zhou H, Skolnick J.
    J Chem Inf Model; 2013 Jan 28; 53(1):230-40. PubMed ID: 23240691
    [Abstract] [Full Text] [Related]

  • 11. FRAGSITE2: A structure and fragment-based approach for virtual ligand screening.
    Zhou H, Skolnick J.
    Protein Sci; 2024 Jan 28; 33(1):e4869. PubMed ID: 38100293
    [Abstract] [Full Text] [Related]

  • 12. SABRE: ligand/structure-based virtual screening approach using consensus molecular-shape pattern recognition.
    Wei NN, Hamza A.
    J Chem Inf Model; 2014 Jan 27; 54(1):338-46. PubMed ID: 24328054
    [Abstract] [Full Text] [Related]

  • 13. Evaluating the predictivity of virtual screening for ABL kinase inhibitors to hinder drug resistance.
    Gani OA, Narayanan D, Engh RA.
    Chem Biol Drug Des; 2013 Nov 27; 82(5):506-19. PubMed ID: 23746052
    [Abstract] [Full Text] [Related]

  • 14. Target-specific support vector machine scoring in structure-based virtual screening: computational validation, in vitro testing in kinases, and effects on lung cancer cell proliferation.
    Li L, Khanna M, Jo I, Wang F, Ashpole NM, Hudmon A, Meroueh SO.
    J Chem Inf Model; 2011 Apr 25; 51(4):755-9. PubMed ID: 21438548
    [Abstract] [Full Text] [Related]

  • 15. mRAISE: an alternative algorithmic approach to ligand-based virtual screening.
    von Behren MM, Bietz S, Nittinger E, Rarey M.
    J Comput Aided Mol Des; 2016 Aug 25; 30(8):583-94. PubMed ID: 27565795
    [Abstract] [Full Text] [Related]

  • 16. Docking and Virtual Screening in Drug Discovery.
    Kontoyianni M.
    Methods Mol Biol; 2017 Aug 25; 1647():255-266. PubMed ID: 28809009
    [Abstract] [Full Text] [Related]

  • 17. PoLi: A Virtual Screening Pipeline Based on Template Pocket and Ligand Similarity.
    Roy A, Srinivasan B, Skolnick J.
    J Chem Inf Model; 2015 Aug 24; 55(8):1757-70. PubMed ID: 26225536
    [Abstract] [Full Text] [Related]

  • 18. Negative Image-Based Screening: Rigid Docking Using Cavity Information.
    Postila PA, Kurkinen ST, Pentikäinen OT.
    Methods Mol Biol; 2021 Aug 24; 2266():125-140. PubMed ID: 33759124
    [Abstract] [Full Text] [Related]

  • 19. Virtual fragment screening: exploration of MM-PBSA re-scoring.
    Kawatkar S, Moustakas D, Miller M, Joseph-McCarthy D.
    J Comput Aided Mol Des; 2012 Aug 24; 26(8):921-34. PubMed ID: 22869295
    [Abstract] [Full Text] [Related]

  • 20. Identification of new Fyn kinase inhibitors using a FLAP-based approach.
    Poli G, Tuccinardi T, Rizzolio F, Caligiuri I, Botta L, Granchi C, Ortore G, Minutolo F, Schenone S, Martinelli A.
    J Chem Inf Model; 2013 Oct 28; 53(10):2538-47. PubMed ID: 24001328
    [Abstract] [Full Text] [Related]

    Page: [Next] [New Search]
    of 15.