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

1412 related items for PubMed ID: 24358939

  • 1.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 2. Investigation of MM-PBSA rescoring of docking poses.
    Thompson DC, Humblet C, Joseph-McCarthy D.
    J Chem Inf Model; 2008 May; 48(5):1081-91. PubMed ID: 18465849
    [Abstract] [Full Text] [Related]

  • 3. Message passing interface and multithreading hybrid for parallel molecular docking of large databases on petascale high performance computing machines.
    Zhang X, Wong SE, Lightstone FC.
    J Comput Chem; 2013 Apr 30; 34(11):915-27. PubMed ID: 23345155
    [Abstract] [Full Text] [Related]

  • 4.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 5.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 6. Comparison of several molecular docking programs: pose prediction and virtual screening accuracy.
    Cross JB, Thompson DC, Rai BK, Baber JC, Fan KY, Hu Y, Humblet C.
    J Chem Inf Model; 2009 Jun 30; 49(6):1455-74. PubMed ID: 19476350
    [Abstract] [Full Text] [Related]

  • 7. A Comprehensive Docking and MM/GBSA Rescoring Study of Ligand Recognition upon Binding Antithrombin.
    Zhang X, Perez-Sanchez H, Lightstone FC.
    Curr Top Med Chem; 2017 Jun 30; 17(14):1631-1639. PubMed ID: 27852201
    [Abstract] [Full Text] [Related]

  • 8.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 9. Virtual screening of PRK1 inhibitors: ensemble docking, rescoring using binding free energy calculation and QSAR model development.
    Slynko I, Scharfe M, Rumpf T, Eib J, Metzger E, Schüle R, Jung M, Sippl W.
    J Chem Inf Model; 2014 Jan 27; 54(1):138-50. PubMed ID: 24377786
    [Abstract] [Full Text] [Related]

  • 10. Lead finder: an approach to improve accuracy of protein-ligand docking, binding energy estimation, and virtual screening.
    Stroganov OV, Novikov FN, Stroylov VS, Kulkov V, Chilov GG.
    J Chem Inf Model; 2008 Dec 27; 48(12):2371-85. PubMed ID: 19007114
    [Abstract] [Full Text] [Related]

  • 11. Rescoring ligand docking poses.
    Zhong S, Zhang Y, Xiu Z.
    Curr Opin Drug Discov Devel; 2010 May 27; 13(3):326-34. PubMed ID: 20443166
    [Abstract] [Full Text] [Related]

  • 12. Improving virtual screening results with MM/GBSA and MM/PBSA rescoring.
    Sahakyan H.
    J Comput Aided Mol Des; 2021 Jun 27; 35(6):731-736. PubMed ID: 33983518
    [Abstract] [Full Text] [Related]

  • 13. Assessing the performance of the MM/PBSA and MM/GBSA methods. 6. Capability to predict protein-protein binding free energies and re-rank binding poses generated by protein-protein docking.
    Chen F, Liu H, Sun H, Pan P, Li Y, Li D, Hou T.
    Phys Chem Chem Phys; 2016 Aug 10; 18(32):22129-39. PubMed ID: 27444142
    [Abstract] [Full Text] [Related]

  • 14. Comparison of virtual high-throughput screening methods for the identification of phosphodiesterase-5 inhibitors.
    Niinivehmas SP, Virtanen SI, Lehtonen JV, Postila PA, Pentikäinen OT.
    J Chem Inf Model; 2011 Jun 27; 51(6):1353-63. PubMed ID: 21591817
    [Abstract] [Full Text] [Related]

  • 15. Assessing the performance of MM/PBSA and MM/GBSA methods. 5. Improved docking performance using high solute dielectric constant MM/GBSA and MM/PBSA rescoring.
    Sun H, Li Y, Shen M, Tian S, Xu L, Pan P, Guan Y, Hou T.
    Phys Chem Chem Phys; 2014 Oct 28; 16(40):22035-45. PubMed ID: 25205360
    [Abstract] [Full Text] [Related]

  • 16. Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
    Graves AP, Shivakumar DM, Boyce SE, Jacobson MP, Case DA, Shoichet BK.
    J Mol Biol; 2008 Mar 28; 377(3):914-34. PubMed ID: 18280498
    [Abstract] [Full Text] [Related]

  • 17. 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
    [Abstract] [Full Text] [Related]

  • 18. Binding estimation after refinement, a new automated procedure for the refinement and rescoring of docked ligands in virtual screening.
    Rastelli G, Degliesposti G, Del Rio A, Sgobba M.
    Chem Biol Drug Des; 2009 Mar 28; 73(3):283-6. PubMed ID: 19207463
    [Abstract] [Full Text] [Related]

  • 19.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 20. Structure-based virtual screening approach for discovery of covalently bound ligands.
    Toledo Warshaviak D, Golan G, Borrelli KW, Zhu K, Kalid O.
    J Chem Inf Model; 2014 Jul 28; 54(7):1941-50. PubMed ID: 24932913
    [Abstract] [Full Text] [Related]

    Page: [Next] [New Search]
    of 71.