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.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

126 related articles for article (PubMed ID: 26575767)

  • 1. Evaluation of Selected Classical Force Fields for Alchemical Binding Free Energy Calculations of Protein-Carbohydrate Complexes.
    Mishra SK; Calabró G; Loeffler HH; Michel J; Koča J
    J Chem Theory Comput; 2015 Jul; 11(7):3333-45. PubMed ID: 26575767
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Computational prediction of monosaccharide binding free energies to lectins with linear interaction energy models.
    Mishra SK; Sund J; Åqvist J; Koča J
    J Comput Chem; 2012 Nov; 33(29):2340-50. PubMed ID: 22847637
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Assessing the Performance of MM/PBSA, MM/GBSA, and QM-MM/GBSA Approaches on Protein/Carbohydrate Complexes: Effect of Implicit Solvent Models, QM Methods, and Entropic Contributions.
    Mishra SK; Koča J
    J Phys Chem B; 2018 Aug; 122(34):8113-8121. PubMed ID: 30084252
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Stacking interactions between carbohydrate and protein quantified by combination of theoretical and experimental methods.
    Wimmerová M; Kozmon S; Nečasová I; Mishra SK; Komárek J; Koča J
    PLoS One; 2012; 7(10):e46032. PubMed ID: 23056230
    [TBL] [Abstract][Full Text] [Related]  

  • 5. A new Ralstonia solanacearum high-affinity mannose-binding lectin RS-IIL structurally resembling the Pseudomonas aeruginosa fucose-specific lectin PA-IIL.
    Sudakevitz D; Kostlánová N; Blatman-Jan G; Mitchell EP; Lerrer B; Wimmerová M; Katcoff DJ; Imberty A; Gilboa-Garber N
    Mol Microbiol; 2004 May; 52(3):691-700. PubMed ID: 15101976
    [TBL] [Abstract][Full Text] [Related]  

  • 6. In silico mutagenesis and docking study of Ralstonia solanacearum RSL lectin: performance of docking software to predict saccharide binding.
    Mishra SK; Adam J; Wimmerová M; Koča J
    J Chem Inf Model; 2012 May; 52(5):1250-61. PubMed ID: 22506916
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Engineering of PA-IIL lectin from Pseudomonas aeruginosa - Unravelling the role of the specificity loop for sugar preference.
    Adam J; Pokorná M; Sabin C; Mitchell EP; Imberty A; Wimmerová M
    BMC Struct Biol; 2007 Jun; 7():36. PubMed ID: 17540045
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Binding Thermodynamics of Host-Guest Systems with SMIRNOFF99Frosst 1.0.5 from the Open Force Field Initiative.
    Slochower DR; Henriksen NM; Wang LP; Chodera JD; Mobley DL; Gilson MK
    J Chem Theory Comput; 2019 Nov; 15(11):6225-6242. PubMed ID: 31603667
    [TBL] [Abstract][Full Text] [Related]  

  • 9. The fucose-binding lectin from Ralstonia solanacearum. A new type of beta-propeller architecture formed by oligomerization and interacting with fucoside, fucosyllactose, and plant xyloglucan.
    Kostlánová N; Mitchell EP; Lortat-Jacob H; Oscarson S; Lahmann M; Gilboa-Garber N; Chambat G; Wimmerová M; Imberty A
    J Biol Chem; 2005 Jul; 280(30):27839-49. PubMed ID: 15923179
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Alchemical prediction of hydration free energies for SAMPL.
    Mobley DL; Liu S; Cerutti DS; Swope WC; Rice JE
    J Comput Aided Mol Des; 2012 May; 26(5):551-62. PubMed ID: 22198475
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Thermodynamics of monosaccharide binding to concanavalin A, pea (Pisum sativum) lectin, and lentil (Lens culinaris) lectin.
    Schwarz FP; Puri KD; Bhat RG; Surolia A
    J Biol Chem; 1993 Apr; 268(11):7668-77. PubMed ID: 8463297
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Anomer-Specific Recognition and Dynamics in a Fucose-Binding Lectin.
    Antonik PM; Volkov AN; Broder UN; Re DL; van Nuland NA; Crowley PB
    Biochemistry; 2016 Mar; 55(8):1195-203. PubMed ID: 26845253
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Using crystallographic water properties for the analysis and prediction of lectin-carbohydrate complex structures.
    Modenutti C; Gauto D; Radusky L; Blanco J; Turjanski A; Hajos S; Marti M
    Glycobiology; 2015 Feb; 25(2):181-96. PubMed ID: 25267604
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Binding Thermodynamics and Interaction Patterns of Inhibitor-Major Urinary Protein-I Binding from Extensive Free-Energy Calculations: Benchmarking AMBER Force Fields.
    Huai Z; Shen Z; Sun Z
    J Chem Inf Model; 2021 Jan; 61(1):284-297. PubMed ID: 33307679
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Structures of the Erythrina corallodendron lectin and of its complexes with mono- and disaccharides.
    Elgavish S; Shaanan B
    J Mol Biol; 1998 Apr; 277(4):917-32. PubMed ID: 9545381
    [TBL] [Abstract][Full Text] [Related]  

  • 16. An efficient use of X-ray information, homology modeling, molecular dynamics and knowledge-based docking techniques to predict protein-monosaccharide complexes.
    Blanco Capurro JI; Di Paola M; Gamarra MD; Martí MA; Modenutti CP
    Glycobiology; 2019 Feb; 29(2):124-136. PubMed ID: 30407518
    [TBL] [Abstract][Full Text] [Related]  

  • 17. How to deal with multiple binding poses in alchemical relative protein-ligand binding free energy calculations.
    Kaus JW; Harder E; Lin T; Abel R; McCammon JA; Wang L
    J Chem Theory Comput; 2015 Jun; 11(6):2670-9. PubMed ID: 26085821
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Conformer selection and differential restriction of ligand mobility by a plant lectin--conformational behaviour of Galbeta1-3GlcNAcbeta1-R, Galbeta1-3GalNAcbeta1-R and Galbeta1-2Galbeta1-R' in the free state and complexed with galactoside-specific mistletoe lectin as revealed by random-walk and conformational-clustering molecular-mechanics.
    Gilleron M; Siebert HC; Kaltner H; von der Lieth CW; Kozár T; Halkes KM; Korchagina EY; Bovin NV; Gabius HJ; Vliegenthart JF
    Eur J Biochem; 1998 Mar; 252(3):416-27. PubMed ID: 9546657
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Recognition of selected monosaccharides by Pseudomonas aeruginosa Lectin II analyzed by molecular dynamics and free energy calculations.
    Mishra NK; Kríz Z; Wimmerová M; Koca J
    Carbohydr Res; 2010 Jul; 345(10):1432-41. PubMed ID: 20546713
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Large scale free energy calculations for blind predictions of protein-ligand binding: the D3R Grand Challenge 2015.
    Deng N; Flynn WF; Xia J; Vijayan RS; Zhang B; He P; Mentes A; Gallicchio E; Levy RM
    J Comput Aided Mol Des; 2016 Sep; 30(9):743-751. PubMed ID: 27562018
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.