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 *

161 related articles for article (PubMed ID: 23072511)

  • 1. Amino acid tautomerization reactions in aqueous solution via concerted and assisted mechanisms using free energy curves from MD simulation.
    Tolosa S; Hidalgo A; Sansón JA
    J Phys Chem B; 2012 Nov; 116(43):13033-44. PubMed ID: 23072511
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Theoretical study of the neutral hydrolysis of hydrogen isocyanate in aqueous solution via assisted-concerted mechanisms.
    Tolosa Arroyo S; Hidalgo Garcia A; Sansón Martín JA
    J Phys Chem A; 2009 Mar; 113(9):1858-63. PubMed ID: 19209882
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A computational model of the glycine tautomerization reaction in aqueous solution.
    Tolosa S; Hidalgo A; Sansón JA
    J Mol Model; 2014 Mar; 20(3):2147. PubMed ID: 24562859
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Molecular dynamics simulation studies of the interactions between ionic liquids and amino acids in aqueous solution.
    Tomé LI; Jorge M; Gomes JR; Coutinho JA
    J Phys Chem B; 2012 Feb; 116(6):1831-42. PubMed ID: 22248362
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Interaction-component analysis of the urea effect on amino acid analogs.
    Karino Y; Matubayasi N
    Phys Chem Chem Phys; 2013 Mar; 15(12):4377-91. PubMed ID: 23416730
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Multicanonical ab inito QM/MM molecular dynamics simulation of a peptide in an aqueous environment.
    Jono R; Watanabe Y; Shimizu K; Terada T
    J Comput Chem; 2010 Apr; 31(6):1168-75. PubMed ID: 19847783
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Mobility mechanism of hydroxyl radicals in aqueous solution via hydrogen transfer.
    Codorniu-Hernández E; Kusalik PG
    J Am Chem Soc; 2012 Jan; 134(1):532-8. PubMed ID: 22107057
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. 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]  

  • 10. Discrimination between native and intentionally misfolded conformations of proteins: ES/IS, a new method for calculating conformational free energy that uses both dynamics simulations with an explicit solvent and an implicit solvent continuum model.
    Vorobjev YN; Almagro JC; Hermans J
    Proteins; 1998 Sep; 32(4):399-413. PubMed ID: 9726412
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Molecular dynamics simulation of the reaction of hydration of formaldehyde using a potential based on solute-solvent interaction energy components.
    Arroyo ST; Martín JA; García AH
    J Phys Chem A; 2007 Jan; 111(2):339-44. PubMed ID: 17214471
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Water hydrogen-bond dynamics around amino acids: the key role of hydrophilic hydrogen-bond acceptor groups.
    Sterpone F; Stirnemann G; Hynes JT; Laage D
    J Phys Chem B; 2010 Feb; 114(5):2083-9. PubMed ID: 20085364
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Optimizing solute-water van der Waals interactions to reproduce solvation free energies.
    Nerenberg PS; Jo B; So C; Tripathy A; Head-Gordon T
    J Phys Chem B; 2012 Apr; 116(15):4524-34. PubMed ID: 22443635
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Development of a ReaxFF reactive force field for glycine and application to solvent effect and tautomerization.
    Rahaman O; van Duin AC; Goddard WA; Doren DJ
    J Phys Chem B; 2011 Jan; 115(2):249-61. PubMed ID: 21166434
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Solvent effects in the excited-state tautomerization of 7-azaindole: a theoretical study.
    Fang H; Kim Y
    J Phys Chem B; 2011 Dec; 115(50):15048-58. PubMed ID: 22074681
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A free-energy perturbation method based on Monte Carlo simulations using quantum mechanical calculations (QM/MC/FEP method): application to highly solvent-dependent reactions.
    Hori K; Yamaguchi T; Uezu K; Sumimoto M
    J Comput Chem; 2011 Apr; 32(5):778-86. PubMed ID: 21341291
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Insights on the mechanism of proton transfer reactions in amino acids.
    Duarte F; Vöhringer-Martinez E; Toro-Labbé A
    Phys Chem Chem Phys; 2011 May; 13(17):7773-82. PubMed ID: 21442087
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Atoms-in-molecules study of the genetically encoded amino acids. III. Bond and atomic properties and their correlations with experiment including mutation-induced changes in protein stability and genetic coding.
    Matta CF; Bader RF
    Proteins; 2003 Aug; 52(3):360-99. PubMed ID: 12866050
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Amino acid conformational preferences and solvation of polar backbone atoms in peptides and proteins.
    Avbelj F
    J Mol Biol; 2000 Jul; 300(5):1335-59. PubMed ID: 10903873
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.