BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

250 related articles for article (PubMed ID: 30618244)

  • 1. Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding.
    Verteramo ML; Stenström O; Ignjatović MM; Caldararu O; Olsson MA; Manzoni F; Leffler H; Oksanen E; Logan DT; Nilsson UJ; Ryde U; Akke M
    J Am Chem Soc; 2019 Feb; 141(5):2012-2026. PubMed ID: 30618244
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C.
    Wallerstein J; Ekberg V; Ignjatović MM; Kumar R; Caldararu O; Peterson K; Wernersson S; Brath U; Leffler H; Oksanen E; Logan DT; Nilsson UJ; Ryde U; Akke M
    JACS Au; 2021 Apr; 1(4):484-500. PubMed ID: 34467311
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Protein flexibility and conformational entropy in ligand design targeting the carbohydrate recognition domain of galectin-3.
    Diehl C; Engström O; Delaine T; Håkansson M; Genheden S; Modig K; Leffler H; Ryde U; Nilsson UJ; Akke M
    J Am Chem Soc; 2010 Oct; 132(41):14577-89. PubMed ID: 20873837
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Conformational dynamics and thermodynamics of protein-ligand binding studied by NMR relaxation.
    Akke M
    Biochem Soc Trans; 2012 Apr; 40(2):419-23. PubMed ID: 22435823
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Conformational Entropy of FK506 Binding to FKBP12 Determined by Nuclear Magnetic Resonance Relaxation and Molecular Dynamics Simulations.
    Solomentsev G; Diehl C; Akke M
    Biochemistry; 2018 Mar; 57(9):1451-1461. PubMed ID: 29412644
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Minimizing the Entropy Penalty for Ligand Binding: Lessons from the Molecular Recognition of the Histo Blood-Group Antigens by Human Galectin-3.
    Gimeno A; Delgado S; Valverde P; Bertuzzi S; Berbís MA; Echavarren J; Lacetera A; Martín-Santamaría S; Surolia A; Cañada FJ; Jiménez-Barbero J; Ardá A
    Angew Chem Int Ed Engl; 2019 May; 58(22):7268-7272. PubMed ID: 30942512
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Accurate predictions of nonpolar solvation free energies require explicit consideration of binding-site hydration.
    Genheden S; Mikulskis P; Hu L; Kongsted J; Söderhjelm P; Ryde U
    J Am Chem Soc; 2011 Aug; 133(33):13081-92. PubMed ID: 21728337
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Empirical free energy calculations of human immunodeficiency virus type 1 protease crystallographic complexes. II. Knowledge-based ligand-protein interaction potentials applied to thermodynamic analysis of hydrophobic mutations.
    Verkhivker GM
    Pac Symp Biocomput; 1996; ():638-52. PubMed ID: 9390264
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Conformational entropy changes upon lactose binding to the carbohydrate recognition domain of galectin-3.
    Diehl C; Genheden S; Modig K; Ryde U; Akke M
    J Biomol NMR; 2009 Sep; 45(1-2):157-69. PubMed ID: 19641853
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Thermodynamic consequences of stapling side-chains on a peptide ligand using a lactam-bridge: A theoretical study on anti-angiogenic peptides targeting VEGF.
    Kalathingal M; Rhee YM
    Proteins; 2024 Apr; ():. PubMed ID: 38602129
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Solvation properties of N-substituted cis and trans amides are not identical: significant enthalpy and entropy changes are revealed by the use of variable temperature 1H NMR in aqueous and chloroform solutions and ab initio calculations.
    Troganis AN; Sicilia E; Barbarossou K; Gerothanassis IP; Russo N
    J Phys Chem A; 2005 Dec; 109(51):11878-84. PubMed ID: 16366639
    [TBL] [Abstract][Full Text] [Related]  

  • 12. The carbohydrate-binding site in galectin-3 is preorganized to recognize a sugarlike framework of oxygens: ultra-high-resolution structures and water dynamics.
    Saraboji K; Håkansson M; Genheden S; Diehl C; Qvist J; Weininger U; Nilsson UJ; Leffler H; Ryde U; Akke M; Logan DT
    Biochemistry; 2012 Jan; 51(1):296-306. PubMed ID: 22111949
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Solvent effects on ligand binding to a serine protease.
    Gopal SM; Klumpers F; Herrmann C; Schäfer LV
    Phys Chem Chem Phys; 2017 May; 19(17):10753-10766. PubMed ID: 28116375
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Advancing GIST-Based Solvent Functionals through Multiobjective Optimization of Solvent Enthalpy and Entropy Scoring Terms.
    Hüfner-Wulsdorf T; Klebe G
    J Chem Inf Model; 2020 Dec; 60(12):6654-6665. PubMed ID: 33264016
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Entropy in molecular recognition by proteins.
    Caro JA; Harpole KW; Kasinath V; Lim J; Granja J; Valentine KG; Sharp KA; Wand AJ
    Proc Natl Acad Sci U S A; 2017 Jun; 114(25):6563-6568. PubMed ID: 28584100
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design.
    Manzoni F; Wallerstein J; Schrader TE; Ostermann A; Coates L; Akke M; Blakeley MP; Oksanen E; Logan DT
    J Med Chem; 2018 May; 61(10):4412-4420. PubMed ID: 29672051
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Distinct Roles for Conformational Dynamics in Protein-Ligand Interactions.
    Liu X; Speckhard DC; Shepherd TR; Sun YJ; Hengel SR; Yu L; Fowler CA; Gakhar L; Fuentes EJ
    Structure; 2016 Dec; 24(12):2053-2066. PubMed ID: 27998539
    [TBL] [Abstract][Full Text] [Related]  

  • 18. The thermodynamics of protein-ligand interaction and solvation: insights for ligand design.
    Olsson TS; Williams MA; Pitt WR; Ladbury JE
    J Mol Biol; 2008 Dec; 384(4):1002-17. PubMed ID: 18930735
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties.
    Brandt T; Holzmann N; Muley L; Khayat M; Wegscheid-Gerlach C; Baum B; Heine A; Hangauer D; Klebe G
    J Mol Biol; 2011 Feb; 405(5):1170-87. PubMed ID: 21111747
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Are crystallographic B-factors suitable for calculating protein conformational entropy?
    Caldararu O; Kumar R; Oksanen E; Logan DT; Ryde U
    Phys Chem Chem Phys; 2019 Aug; 21(33):18149-18160. PubMed ID: 31389436
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 13.