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 *

156 related articles for article (PubMed ID: 24712780)

  • 21. Theoretical study on isotope and temperature effect in hydronium ion using ab initio path integral simulation.
    Tachikawa M; Shiga M
    J Chem Phys; 2004 Sep; 121(12):5985-91. PubMed ID: 15367026
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Molecular structure of 9H-adenine tautomer: gas-phase electron diffraction and quantum-chemical studies.
    Vogt N; Dorofeeva OV; Sipachev VA; Rykov AN
    J Phys Chem A; 2009 Dec; 113(49):13816-23. PubMed ID: 19863126
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Conditional Born-Oppenheimer Dynamics: Quantum Dynamics Simulations for the Model Porphine.
    Albareda G; Bofill JM; Tavernelli I; Huarte-Larrañaga F; Illas F; Rubio A
    J Phys Chem Lett; 2015 May; 6(9):1529-35. PubMed ID: 26263307
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Ab initio protein structure prediction with force field parameters derived from water-phase quantum chemical calculation.
    Katagiri D; Fuji H; Neya S; Hoshino T
    J Comput Chem; 2008 Sep; 29(12):1930-44. PubMed ID: 18366016
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surface.
    Hu H; Lu Z; Parks JM; Burger SK; Yang W
    J Chem Phys; 2008 Jan; 128(3):034105. PubMed ID: 18205486
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Calibration of force-field dependency in free energy landscapes of peptide conformations by quantum chemical calculations.
    Ono S; Kuroda M; Higo J; Nakajima N; Nakamura H
    J Comput Chem; 2002 Mar; 23(4):470-6. PubMed ID: 11908083
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Molecular Mechanochemistry: Engineering and Implications of Inherently Strained Architectures.
    Li Y; Sheiko SS
    Top Curr Chem; 2015; 369():1-36. PubMed ID: 25805145
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Partial hessian fitting for determining force constant parameters in molecular mechanics.
    Wang R; Ozhgibesov M; Hirao H
    J Comput Chem; 2016 Oct; 37(26):2349-59. PubMed ID: 27497261
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Quantum wave packet ab initio molecular dynamics: an approach to study quantum dynamics in large systems.
    Iyengar SS; Jakowski J
    J Chem Phys; 2005 Mar; 122(11):114105. PubMed ID: 15836199
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Quantum decoherence and quasi-equilibrium in open quantum systems with few degrees of freedom: application to 1H NMR of nematic liquid crystals.
    Segnorile HH; Zamar RC
    J Chem Phys; 2011 Dec; 135(24):244509. PubMed ID: 22225171
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Ab initio statistical mechanics of surface adsorption and desorption. I. H2O on MgO (001) at low coverage.
    Alfè D; Gillan MJ
    J Chem Phys; 2007 Sep; 127(11):114709. PubMed ID: 17887872
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Communications: Ab initio dynamics of rare thermally activated reactions.
    a Beccara S; Garberoglio G; Faccioli P; Pederiva F
    J Chem Phys; 2010 Mar; 132(11):111102. PubMed ID: 20331273
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Theory of diatomic molecules in an external electromagnetic field from first quantum mechanical principles.
    Sindelka M; Moiseyev N
    J Phys Chem A; 2006 Apr; 110(16):5561-71. PubMed ID: 16623490
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Reoptimization of the AMBER force field parameters for peptide bond (Omega) torsions using accelerated molecular dynamics.
    Doshi U; Hamelberg D
    J Phys Chem B; 2009 Dec; 113(52):16590-5. PubMed ID: 19938868
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Molecular structure, conformation, and potential to internal rotation of 2,6- and 3,5-difluoronitrobenzene studied by gas-phase electron diffraction and quantum chemical calculations.
    Dorofeeva OV; Ferenets AV; Karasev NM; Vilkov LV; Oberhammer H
    J Phys Chem A; 2008 Jun; 112(22):5002-9. PubMed ID: 18461918
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Molecular structure, vibrational spectra and (13)C and (1)H NMR spectral analysis of 1-methylnaphthalene by ab initio HF and DFT methods.
    Shailajha S; Rajesh Kannan U; Sheik Abdul Kadhar SP; Isac Paulraj E
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Dec; 133():720-9. PubMed ID: 24996214
    [TBL] [Abstract][Full Text] [Related]  

  • 37. A relook at the compliance constants in redundant internal coordinates and some new insights.
    Vijay Madhav M; Manogaran S
    J Chem Phys; 2009 Nov; 131(17):174112. PubMed ID: 19895003
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Excited electronic states and nonadiabatic effects in contemporary chemical dynamics.
    Mahapatra S
    Acc Chem Res; 2009 Aug; 42(8):1004-15. PubMed ID: 19456094
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Quantum molecular mechanics-a noniterative procedure for the fast ab Initio calculation of closed shell systems.
    Moura GL; Simas AM
    J Comput Chem; 2012 Apr; 33(9):958-69. PubMed ID: 22318858
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Franck-Condon Theory of Quantum Mechanochemistry.
    Rybkin VV
    J Phys Chem A; 2017 Aug; 121(30):5758-5762. PubMed ID: 28685567
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 8.