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 *

189 related articles for article (PubMed ID: 23579285)

  • 1. Probing micro-solvation in "numbers": the case of neutral dipeptides in water.
    Takis PG; Papavasileiou KD; Peristeras LD; Melissas VS; Troganis AN
    Phys Chem Chem Phys; 2013 May; 15(19):7354-62. PubMed ID: 23579285
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Water-mediated conformations of the alanine dipeptide as revealed by distributed umbrella sampling simulations, quantum mechanics based calculations, and experimental data.
    Cruz V; Ramos J; Martínez-Salazar J
    J Phys Chem B; 2011 Apr; 115(16):4880-6. PubMed ID: 21469661
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A comparative theoretical study of dipeptide solvation in water.
    Hugosson HW; Laio A; Maurer P; Rothlisberger U
    J Comput Chem; 2006 Apr; 27(5):672-84. PubMed ID: 16477697
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Optimization of partial multicanonical molecular dynamics simulations applied to an alanine dipeptide in explicit water solvent.
    Okumura H
    Phys Chem Chem Phys; 2011 Jan; 13(1):114-26. PubMed ID: 21038036
    [TBL] [Abstract][Full Text] [Related]  

  • 5. A molecular dynamics study of the dielectric properties of aqueous solutions of alanine and alanine dipeptide.
    Boresch S; Willensdorfer M; Steinhauser O
    J Chem Phys; 2004 Feb; 120(7):3333-47. PubMed ID: 15268487
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Microsolvation and hydrogen bond interactions in Glycine Dipeptide: molecular dynamics and density functional theory studies.
    Yogeswari B; Kanakaraju R; Boopathi S; Kolandaivel P
    J Mol Graph Model; 2012 May; 35():11-20. PubMed ID: 22481074
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Study on the conformational equilibrium of the alanine dipeptide in water solution by using the averaged solvent electrostatic potential from molecular dynamics methodology.
    García-Prieto FF; Fdez Galván I; Aguilar MA; Martín ME
    J Chem Phys; 2011 Nov; 135(19):194502. PubMed ID: 22112087
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Solvation and hydrogen bonding in alanine- and glycine-containing dipeptides probed using solution- and solid-state NMR spectroscopy.
    Bhate MP; Woodard JC; Mehta MA
    J Am Chem Soc; 2009 Jul; 131(27):9579-89. PubMed ID: 19537718
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Solvation effects on alanine dipeptide: A MP2/cc-pVTZ//MP2/6-31G** study of (Phi, Psi) energy maps and conformers in the gas phase, ether, and water.
    Wang ZX; Duan Y
    J Comput Chem; 2004 Nov; 25(14):1699-716. PubMed ID: 15362127
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Effect of the solvent on the conformational behavior of the alanine dipeptide deduced from MD simulations.
    Rubio-Martinez J; Tomas MS; Perez JJ
    J Mol Graph Model; 2017 Nov; 78():118-128. PubMed ID: 29055185
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Metadynamics as a tool for mapping the conformational and free-energy space of peptides--the alanine dipeptide case study.
    Vymetal J; Vondrásek J
    J Phys Chem B; 2010 Apr; 114(16):5632-42. PubMed ID: 20361773
    [TBL] [Abstract][Full Text] [Related]  

  • 12. An application of coupled reference interaction site model/molecular dynamics to the conformational analysis of the alanine dipeptide.
    Freedman H; Truong TN
    J Chem Phys; 2004 Dec; 121(24):12447-56. PubMed ID: 15606265
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Molecular dynamics investigation of dipeptide-transition metal salts in aqueous solutions.
    Santosh MS; Lyubartsev AP; Mirzoev AA; Bhat DK
    J Phys Chem B; 2010 Dec; 114(49):16632-40. PubMed ID: 21086976
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Polarizable molecular dynamics simulations of aqueous dipeptides.
    Kucukkal TG; Stuart SJ
    J Phys Chem B; 2012 Aug; 116(30):8733-40. PubMed ID: 22747103
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Instantaneous normal mode analysis of the vibrational relaxation of the amide I mode of alanine dipeptide in water.
    Farag MH; Zúñiga J; Requena A; Bastida A
    J Chem Phys; 2013 May; 138(20):205102. PubMed ID: 23742520
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Classical and quantum mechanical/molecular mechanical molecular dynamics simulations of alanine dipeptide in water: comparisons with IR and vibrational circular dichroism spectra.
    Kwac K; Lee KK; Han JB; Oh KI; Cho M
    J Chem Phys; 2008 Mar; 128(10):105106. PubMed ID: 18345930
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Direct calculations of vibrational absorption and circular dichroism spectra of alanine dipeptide analog in water: quantum mechanical/molecular mechanical molecular dynamics simulations.
    Yang S; Cho M
    J Chem Phys; 2009 Oct; 131(13):135102. PubMed ID: 19814574
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Conformational Changes of the Alanine Dipeptide in Water-Ethanol Binary Mixtures.
    Almeida GG; Cordeiro JM; Martín ME; Aguilar MA
    J Chem Theory Comput; 2016 Apr; 12(4):1514-24. PubMed ID: 26910305
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Driving of a small solvated peptide in the IR and THz range--a comparative study of energy flow.
    Niehues G; Kaledin AL; Bowman JM; Havenith M
    J Phys Chem B; 2012 Aug; 116(33):10020-5. PubMed ID: 22845680
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.