BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

244 related articles for article (PubMed ID: 28128570)

  • 1. Potential of Mean Force Calculations of Solute Permeation Across UT-B and AQP1: A Comparison between Molecular Dynamics and 3D-RISM.
    Ariz-Extreme I; Hub JS
    J Phys Chem B; 2017 Feb; 121(7):1506-1519. PubMed ID: 28128570
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Molecular selectivity in aquaporin channels studied by the 3D-RISM theory.
    Phongphanphanee S; Yoshida N; Hirata F
    J Phys Chem B; 2010 Jun; 114(23):7967-73. PubMed ID: 20496877
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Mechanism of selectivity in aquaporins and aquaglyceroporins.
    Hub JS; de Groot BL
    Proc Natl Acad Sci U S A; 2008 Jan; 105(4):1198-203. PubMed ID: 18202181
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Energetic and molecular water permeation mechanisms of the human red blood cell urea transporter B.
    Azouzi S; Gueroult M; Ripoche P; Genetet S; Colin Aronovicz Y; Le Van Kim C; Etchebest C; Mouro-Chanteloup I
    PLoS One; 2013; 8(12):e82338. PubMed ID: 24376529
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Accelerating potential of mean force calculations for lipid membrane permeation: System size, reaction coordinate, solute-solute distance, and cutoffs.
    Nitschke N; Atkovska K; Hub JS
    J Chem Phys; 2016 Sep; 145(12):125101. PubMed ID: 27782650
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Movement of NH₃ through the human urea transporter B: a new gas channel.
    Geyer RR; Musa-Aziz R; Enkavi G; Mahinthichaichan P; Tajkhorshid E; Boron WF
    Am J Physiol Renal Physiol; 2013 Jun; 304(12):F1447-57. PubMed ID: 23552862
    [TBL] [Abstract][Full Text] [Related]  

  • 7. MTS-MD of Biomolecules Steered with 3D-RISM-KH Mean Solvation Forces Accelerated with Generalized Solvation Force Extrapolation.
    Omelyan I; Kovalenko A
    J Chem Theory Comput; 2015 Apr; 11(4):1875-95. PubMed ID: 26574393
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Calculation of local water densities in biological systems: a comparison of molecular dynamics simulations and the 3D-RISM-KH molecular theory of solvation.
    Stumpe MC; Blinov N; Wishart D; Kovalenko A; Pande VS
    J Phys Chem B; 2011 Jan; 115(2):319-28. PubMed ID: 21174421
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Potentials of mean force and permeabilities for carbon dioxide, ammonia, and water flux across a Rhesus protein channel and lipid membranes.
    Hub JS; Winkler FK; Merrick M; de Groot BL
    J Am Chem Soc; 2010 Sep; 132(38):13251-63. PubMed ID: 20815391
    [TBL] [Abstract][Full Text] [Related]  

  • 10. SAMPL5: 3D-RISM partition coefficient calculations with partial molar volume corrections and solute conformational sampling.
    Luchko T; Blinov N; Limon GC; Joyce KP; Kovalenko A
    J Comput Aided Mol Des; 2016 Nov; 30(11):1115-1127. PubMed ID: 27585474
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Molecular dynamics - potential of mean force calculations as a tool for understanding ion permeation and selectivity in narrow channels.
    Allen TW; Andersen OS; Roux B
    Biophys Chem; 2006 Dec; 124(3):251-67. PubMed ID: 16781050
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Point mutations in the aromatic/arginine region in aquaporin 1 allow passage of urea, glycerol, ammonia, and protons.
    Beitz E; Wu B; Holm LM; Schultz JE; Zeuthen T
    Proc Natl Acad Sci U S A; 2006 Jan; 103(2):269-74. PubMed ID: 16407156
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Dynamics and energetics of solute permeation through the Plasmodium falciparum aquaglyceroporin.
    Aponte-Santamaría C; Hub JS; de Groot BL
    Phys Chem Chem Phys; 2010 Sep; 12(35):10246-54. PubMed ID: 20607193
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Water and deuterium oxide permeability through aquaporin 1: MD predictions and experimental verification.
    Mamonov AB; Coalson RD; Zeidel ML; Mathai JC
    J Gen Physiol; 2007 Jul; 130(1):111-6. PubMed ID: 17591989
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Transport characteristics of urea transporter-B.
    Yang B
    Subcell Biochem; 2014; 73():127-35. PubMed ID: 25298342
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Biomolecular Simulations with the Three-Dimensional Reference Interaction Site Model with the Kovalenko-Hirata Closure Molecular Solvation Theory.
    Roy D; Kovalenko A
    Int J Mol Sci; 2021 May; 22(10):. PubMed ID: 34064655
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Molecular mechanisms of how mercury inhibits water permeation through aquaporin-1: understanding by molecular dynamics simulation.
    Hirano Y; Okimoto N; Kadohira I; Suematsu M; Yasuoka K; Yasui M
    Biophys J; 2010 Apr; 98(8):1512-9. PubMed ID: 20409470
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Exploring gas permeability of cellular membranes and membrane channels with molecular dynamics.
    Wang Y; Cohen J; Boron WF; Schulten K; Tajkhorshid E
    J Struct Biol; 2007 Mar; 157(3):534-44. PubMed ID: 17306562
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Reference interaction site model with hydrophobicity induced density inhomogeneity: An analytical theory to compute solvation properties of large hydrophobic solutes in the mixture of polyatomic solvent molecules.
    Cao S; Sheong FK; Huang X
    J Chem Phys; 2015 Aug; 143(5):054110. PubMed ID: 26254645
    [TBL] [Abstract][Full Text] [Related]  

  • 20. A molecular reconstruction approach to site-based 3D-RISM and comparison to GIST hydration thermodynamic maps in an enzyme active site.
    Nguyen C; Yamazaki T; Kovalenko A; Case DA; Gilson MK; Kurtzman T; Luchko T
    PLoS One; 2019; 14(7):e0219473. PubMed ID: 31291328
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 13.