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Journal Abstract Search

489 related items for PubMed ID: 29188574

  • 1. 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; 1705():375-394. PubMed ID: 29188574
    [Abstract] [Full Text] [Related]

  • 2. 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]

  • 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. 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]

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

  • 6. Modeling and Deorphanization of Orphan GPCRs.
    Diaz C, Angelloz-Nicoud P, Pihan E.
    Methods Mol Biol; 2018 Oct; 1705():413-429. PubMed ID: 29188576
    [Abstract] [Full Text] [Related]

  • 7. Methodologies for the Examination of Water in GPCRs.
    Bortolato A, Tehan BG, Smith RT, Mason JS.
    Methods Mol Biol; 2018 Oct; 1705():207-232. PubMed ID: 29188565
    [Abstract] [Full Text] [Related]

  • 8. Protein-Protein Docking in Drug Design and Discovery.
    Kaczor AA, Bartuzi D, Stępniewski TM, Matosiuk D, Selent J.
    Methods Mol Biol; 2018 Oct; 1762():285-305. PubMed ID: 29594778
    [Abstract] [Full Text] [Related]

  • 9. Structure-Based Virtual Screening.
    Li Q, Shah S.
    Methods Mol Biol; 2017 Oct; 1558():111-124. PubMed ID: 28150235
    [Abstract] [Full Text] [Related]

  • 10. Chemistry-driven Hit-to-lead Optimization Guided by Structure-based Approaches.
    Hoffer L, Muller C, Roche P, Morelli X.
    Mol Inform; 2018 Sep; 37(9-10):e1800059. PubMed ID: 30051601
    [Abstract] [Full Text] [Related]

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

  • 12. Computational approaches for ligand discovery and design in class-A G protein- coupled receptors.
    Rodríguez D, Gutiérrez-de-Terán H.
    Curr Pharm Des; 2013 Sep; 19(12):2216-36. PubMed ID: 23016842
    [Abstract] [Full Text] [Related]

  • 13. Using the fragment molecular orbital method to investigate agonist-orexin-2 receptor interactions.
    Heifetz A, Aldeghi M, Chudyk EI, Fedorov DG, Bodkin MJ, Biggin PC.
    Biochem Soc Trans; 2016 Apr 15; 44(2):574-81. PubMed ID: 27068972
    [Abstract] [Full Text] [Related]

  • 14. 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]

  • 15. 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]

  • 16. Methods for Virtual Screening of GPCR Targets: Approaches and Challenges.
    Cross JB.
    Methods Mol Biol; 2018 Jun 02; 1705():233-264. PubMed ID: 29188566
    [Abstract] [Full Text] [Related]

  • 17. 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]

  • 18. 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 Jul 15; 1705():23-44. PubMed ID: 29188557
    [Abstract] [Full Text] [Related]

  • 19. Structure-based molecular modeling approaches to GPCR oligomerization.
    Kaczor AA, Selent J, Poso A.
    Methods Cell Biol; 2013 Jul 15; 117():91-104. PubMed ID: 24143973
    [Abstract] [Full Text] [Related]

  • 20. 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 15; 34(10):1027-1044. PubMed ID: 32737667
    [Abstract] [Full Text] [Related]

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