BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

419 related articles for article (PubMed ID: 16514695)

  • 21. Are solvation free energies of homogeneous helical peptides additive?
    Staritzbichler R; Gu W; Helms V
    J Phys Chem B; 2005 Oct; 109(40):19000-7. PubMed ID: 16853446
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Electrostatic solvation free energy of amino acid side chain analogs: implications for the validity of electrostatic linear response in water.
    Lin B; Pettitt BM
    J Comput Chem; 2011 Apr; 32(5):878-85. PubMed ID: 20941733
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Improving the performance of the coupled reference interaction site model-hyper-netted chain (RISM-HNC)/simulation method for free energy of solvation.
    Freedman H; Le L; Tuszynski JA; Truong TN
    J Phys Chem B; 2008 Feb; 112(8):2340-8. PubMed ID: 18251537
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Ion solvation thermodynamics from simulation with a polarizable force field.
    Grossfield A; Ren P; Ponder JW
    J Am Chem Soc; 2003 Dec; 125(50):15671-82. PubMed ID: 14664617
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Solvation model based on order parameters and a fast sampling method for the calculation of the solvation free energies of peptides.
    Gu C; Lustig S; Trout BL
    J Phys Chem B; 2006 Jan; 110(3):1476-84. PubMed ID: 16471699
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Force Field Benchmark of Amino Acids. 2. Partition Coefficients between Water and Organic Solvents.
    Zhang H; Jiang Y; Cui Z; Yin C
    J Chem Inf Model; 2018 Aug; 58(8):1669-1681. PubMed ID: 30047730
    [TBL] [Abstract][Full Text] [Related]  

  • 27. In silico prediction of drug solubility: 4. Will simple potentials suffice?
    Lüder K; Lindfors L; Westergren J; Nordholm S; Persson R; Pedersen M
    J Comput Chem; 2009 Sep; 30(12):1859-71. PubMed ID: 19115279
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Hydration properties and potentials of mean force of nonpolar amino acid residues in water: a pertubation theoretic approach.
    Renzi DG; Stoico CO; Vericat F
    J Chem Phys; 2005 Sep; 123(10):104502. PubMed ID: 16178605
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Parameterization of the Hamiltonian Dielectric Solvent (HADES) Reaction-Field Method for the Solvation Free Energies of Amino Acid Side-Chain Analogs.
    Zachmann M; Mathias G; Antes I
    Chemphyschem; 2015 Jun; 16(8):1739-49. PubMed ID: 25820235
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Comparison of two simulation methods to compute solvation free energies and partition coefficients.
    Yang L; Ahmed A; Sandler SI
    J Comput Chem; 2013 Feb; 34(4):284-93. PubMed ID: 23109246
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Free energy profiles of amino acid side chain analogs near water-vapor interface obtained via MD simulations.
    Shaytan AK; Ivanov VA; Shaitan KV; Khokhlov AR
    J Comput Chem; 2010 Jan; 31(1):204-16. PubMed ID: 19421988
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Redox entropy of plastocyanin: developing a microscopic view of mesoscopic polar solvation.
    LeBard DN; Matyushov DV
    J Chem Phys; 2008 Apr; 128(15):155106. PubMed ID: 18433287
    [TBL] [Abstract][Full Text] [Related]  

  • 33. On the transferability of atomic solvation parameters: Ab initio structural prediction of cyclic heptapeptides in DMSO.
    Baysal C; Meirovitch H
    Biopolymers; 2000 Nov; 54(6):416-28. PubMed ID: 10951328
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Ion solvation in water from molecular dynamics simulation with the ABEEM/MM force field.
    Yang ZZ; Li X
    J Phys Chem A; 2005 Apr; 109(16):3517-20. PubMed ID: 16839014
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Reoptimized interaction parameters for the peptide-backbone model compound N-methylacetamide in the GROMOS force field: influence on the folding properties of two beta-peptides in methanol.
    Horta BA; Lin Z; Huang W; Riniker S; van Gunsteren WF; Hünenberger PH
    J Comput Chem; 2012 Sep; 33(24):1907-17. PubMed ID: 22648867
    [TBL] [Abstract][Full Text] [Related]  

  • 36. FACTS: Fast analytical continuum treatment of solvation.
    Haberthür U; Caflisch A
    J Comput Chem; 2008 Apr; 29(5):701-15. PubMed ID: 17918282
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Enthalpy of solvation correlations for gaseous solutes dissolved in water and in 1-octanol based on the Abraham model.
    Mintz C; Clark M; Acree WE; Abraham MH
    J Chem Inf Model; 2007; 47(1):115-21. PubMed ID: 17238256
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Surface-integral QSPR models: local energy properties.
    Ehresmann B; de Groot MJ; Clark T
    J Chem Inf Model; 2005; 45(4):1053-60. PubMed ID: 16045301
    [TBL] [Abstract][Full Text] [Related]  

  • 39. An improved nucleic acid parameter set for the GROMOS force field.
    Soares TA; Hünenberger PH; Kastenholz MA; Kräutler V; Lenz T; Lins RD; Oostenbrink C; van Gunsteren WF
    J Comput Chem; 2005 May; 26(7):725-37. PubMed ID: 15770662
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Applicability of a continuum solvation model to the octanol water transfer: CFF91 based model for amino acids.
    Schmidt AB; Fine RM
    Biopolymers; 1995 Nov; 36(5):599-605. PubMed ID: 7578951
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 21.