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Journal Abstract Search

597 related items for PubMed ID: 30829435

  • 1. Stalis: A Computational Method for Template-Based Ab Initio Ligand Design.
    Lee HS, Im W.
    J Comput Chem; 2019 Jun 30; 40(17):1622-1632. PubMed ID: 30829435
    [Abstract] [Full Text] [Related]

  • 2. SPOT-Ligand: Fast and effective structure-based virtual screening by binding homology search according to ligand and receptor similarity.
    Yang Y, Zhan J, Zhou Y.
    J Comput Chem; 2016 Jul 05; 37(18):1734-9. PubMed ID: 27074979
    [Abstract] [Full Text] [Related]

  • 3. 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]

  • 4. PLHINT: A knowledge-driven computational approach based on the intermolecular H bond interactions at the protein-ligand interface from docking solutions.
    Kumar SP.
    J Mol Graph Model; 2018 Jan 24; 79():194-212. PubMed ID: 29241118
    [Abstract] [Full Text] [Related]

  • 5. 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
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  • 6. Computational protein-ligand docking and virtual drug screening with the AutoDock suite.
    Forli S, Huey R, Pique ME, Sanner MF, Goodsell DS, Olson AJ.
    Nat Protoc; 2016 May 28; 11(5):905-19. PubMed ID: 27077332
    [Abstract] [Full Text] [Related]

  • 7. FINDSITEcomb2.0: A New Approach for Virtual Ligand Screening of Proteins and Virtual Target Screening of Biomolecules.
    Zhou H, Cao H, Skolnick J.
    J Chem Inf Model; 2018 Nov 26; 58(11):2343-2354. PubMed ID: 30278128
    [Abstract] [Full Text] [Related]

  • 8. LS-align: an atom-level, flexible ligand structural alignment algorithm for high-throughput virtual screening.
    Hu J, Liu Z, Yu DJ, Zhang Y.
    Bioinformatics; 2018 Jul 01; 34(13):2209-2218. PubMed ID: 29462237
    [Abstract] [Full Text] [Related]

  • 9. InstaDock: A single-click graphical user interface for molecular docking-based virtual high-throughput screening.
    Mohammad T, Mathur Y, Hassan MI.
    Brief Bioinform; 2021 Jul 20; 22(4):. PubMed ID: 33105480
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  • 10. 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
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  • 11. Structure-based virtual screening of MT2 melatonin receptor: influence of template choice and structural refinement.
    Pala D, Beuming T, Sherman W, Lodola A, Rivara S, Mor M.
    J Chem Inf Model; 2013 Apr 22; 53(4):821-35. PubMed ID: 23541165
    [Abstract] [Full Text] [Related]

  • 12. DockThor-VS: A Free Platform for Receptor-Ligand Virtual Screening.
    Guedes IA, Pereira da Silva MM, Galheigo M, Krempser E, de Magalhães CS, Correa Barbosa HJ, Dardenne LE.
    J Mol Biol; 2024 Sep 01; 436(17):168548. PubMed ID: 39237203
    [Abstract] [Full Text] [Related]

  • 13. 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]

  • 14. Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, and virtual screening.
    Zavodszky MI, Sanschagrin PC, Korde RS, Kuhn LA.
    J Comput Aided Mol Des; 2002 Dec 24; 16(12):883-902. PubMed ID: 12825621
    [Abstract] [Full Text] [Related]

  • 15. Function and structure-based screening of compounds, peptides and proteins to identify drug candidates.
    Malik V, Dhanjal JK, Kumari A, Radhakrishnan N, Singh K, Sundar D.
    Methods; 2017 Dec 01; 131():10-21. PubMed ID: 28843611
    [Abstract] [Full Text] [Related]

  • 16. Structure-Based Virtual Screening.
    Li Q, Shah S.
    Methods Mol Biol; 2017 Dec 01; 1558():111-124. PubMed ID: 28150235
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  • 17. Applications of the NRGsuite and the Molecular Docking Software FlexAID in Computational Drug Discovery and Design.
    Morency LP, Gaudreault F, Najmanovich R.
    Methods Mol Biol; 2018 Dec 01; 1762():367-388. PubMed ID: 29594781
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  • 18. 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]

  • 19. Structure-based computational approaches for small-molecule modulation of protein-protein interactions.
    Xu D, Wang B, Meroueh SO.
    Methods Mol Biol; 2015 Jan 27; 1278():77-92. PubMed ID: 25859944
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  • 20. Docking and Virtual Screening in Drug Discovery.
    Kontoyianni M.
    Methods Mol Biol; 2017 Jan 27; 1647():255-266. PubMed ID: 28809009
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