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

206 related items for PubMed ID: 27419904

  • 1. Guiding lead optimization with GPCR structure modeling and molecular dynamics.
    Heifetz A, James T, Morao I, Bodkin MJ, Biggin PC.
    Curr Opin Pharmacol; 2016 Oct; 30():14-21. PubMed ID: 27419904
    [Abstract] [Full Text] [Related]

  • 2. Computational Methods Used in Hit-to-Lead and Lead Optimization Stages of Structure-Based Drug Discovery.
    Heifetz A, Southey M, Morao I, Townsend-Nicholson A, Bodkin MJ.
    Methods Mol Biol; 2018 Oct; 1705():375-394. PubMed ID: 29188574
    [Abstract] [Full Text] [Related]

  • 3. GPCR Homology Model Generation for Lead Optimization.
    Tautermann CS.
    Methods Mol Biol; 2018 Oct; 1705():115-131. PubMed ID: 29188560
    [Abstract] [Full Text] [Related]

  • 4. Synergistic Use of GPCR Modeling and SDM Experiments to Understand Ligand Binding.
    Potterton A, Heifetz A, Townsend-Nicholson A.
    Methods Mol Biol; 2018 Oct; 1705():335-343. PubMed ID: 29188570
    [Abstract] [Full Text] [Related]

  • 5. Exploring GPCR-Ligand Interactions with the Fragment Molecular Orbital (FMO) Method.
    Chudyk EI, Sarrat L, Aldeghi M, Fedorov DG, Bodkin MJ, James T, Southey M, Robinson R, Morao I, Heifetz A.
    Methods Mol Biol; 2018 Oct; 1705():179-195. PubMed ID: 29188563
    [Abstract] [Full Text] [Related]

  • 6. A Machine Learning Approach for the Discovery of Ligand-Specific Functional Mechanisms of GPCRs.
    Plante A, Shore DM, Morra G, Khelashvili G, Weinstein H.
    Molecules; 2019 Jun 02; 24(11):. PubMed ID: 31159491
    [Abstract] [Full Text] [Related]

  • 7. New paradigms in GPCR drug discovery.
    Jacobson KA.
    Biochem Pharmacol; 2015 Dec 15; 98(4):541-55. PubMed ID: 26265138
    [Abstract] [Full Text] [Related]

  • 8. G-protein coupled receptors: advances in simulation and drug discovery.
    Miao Y, McCammon JA.
    Curr Opin Struct Biol; 2016 Dec 15; 41():83-89. PubMed ID: 27344006
    [Abstract] [Full Text] [Related]

  • 9. Characterization of Ligand Binding to GPCRs Through Computational Methods.
    Vasile S, Esguerra M, Jespers W, Oliveira A, Sallander J, Åqvist J, Gutiérrez-de-Terán H.
    Methods Mol Biol; 2018 Dec 15; 1705():23-44. PubMed ID: 29188557
    [Abstract] [Full Text] [Related]

  • 10. Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations.
    Cournia Z, Allen B, Sherman W.
    J Chem Inf Model; 2017 Dec 26; 57(12):2911-2937. PubMed ID: 29243483
    [Abstract] [Full Text] [Related]

  • 11. Structures of G protein-coupled receptors reveal new opportunities for drug discovery.
    Cooke RM, Brown AJ, Marshall FH, Mason JS.
    Drug Discov Today; 2015 Nov 26; 20(11):1355-64. PubMed ID: 26303408
    [Abstract] [Full Text] [Related]

  • 12. Trends in application of advancing computational approaches in GPCR ligand discovery.
    Zhu S, Wu M, Huang Z, An J.
    Exp Biol Med (Maywood); 2021 May 26; 246(9):1011-1024. PubMed ID: 33641446
    [Abstract] [Full Text] [Related]

  • 13.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 14. Efficiency of Homology Modeling Assisted Molecular Docking in G-protein Coupled Receptors.
    Bhunia SS, Saxena AK.
    Curr Top Med Chem; 2021 May 26; 21(4):269-294. PubMed ID: 32901584
    [Abstract] [Full Text] [Related]

  • 15. Benchmarking GPCR homology model template selection in combination with de novo loop generation.
    Szwabowski GL, Castleman PN, Sears CK, Wink LH, Cole JA, Baker DL, Parrill AL.
    J Comput Aided Mol Des; 2020 Oct 26; 34(10):1027-1044. PubMed ID: 32737667
    [Abstract] [Full Text] [Related]

  • 16. Structure versus function-The impact of computational methods on the discovery of specific GPCR-ligands.
    Bermudez M, Wolber G.
    Bioorg Med Chem; 2015 Jul 15; 23(14):3907-12. PubMed ID: 25828056
    [Abstract] [Full Text] [Related]

  • 17. G-protein-coupled receptor-focused drug discovery using a target class platform approach.
    Heilker R, Wolff M, Tautermann CS, Bieler M.
    Drug Discov Today; 2009 Mar 15; 14(5-6):231-40. PubMed ID: 19121411
    [Abstract] [Full Text] [Related]

  • 18. Molecular interaction fingerprint approaches for GPCR drug discovery.
    Vass M, Kooistra AJ, Ritschel T, Leurs R, de Esch IJ, de Graaf C.
    Curr Opin Pharmacol; 2016 Oct 15; 30():59-68. PubMed ID: 27479316
    [Abstract] [Full Text] [Related]

  • 19. Improving virtual screening of G protein-coupled receptors via ligand-directed modeling.
    Coudrat T, Simms J, Christopoulos A, Wootten D, Sexton PM.
    PLoS Comput Biol; 2017 Nov 15; 13(11):e1005819. PubMed ID: 29131821
    [Abstract] [Full Text] [Related]

  • 20. Cheminformatics in the Service of GPCR Drug Discovery.
    James T.
    Methods Mol Biol; 2018 Nov 15; 1705():395-411. PubMed ID: 29188575
    [Abstract] [Full Text] [Related]

    Page: [Next] [New Search]
    of 11.