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 *

141 related articles for article (PubMed ID: 18247966)

  • 21. Fragment Molecular Orbital method-based Molecular Dynamics (FMO-MD) as a simulator for chemical reactions in explicit solvation.
    Komeiji Y; Ishikawa T; Mochizuki Y; Yamataka H; Nakano T
    J Comput Chem; 2009 Jan; 30(1):40-50. PubMed ID: 18504778
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Enthalpy-entropy contributions to salt and osmolyte effects on molecular-scale hydrophobic hydration and interactions.
    Athawale MV; Sarupria S; Garde S
    J Phys Chem B; 2008 May; 112(18):5661-70. PubMed ID: 18447346
    [TBL] [Abstract][Full Text] [Related]  

  • 23. FURSMASA: a new approach to rapid scoring functions that uses a MD-averaged potential energy grid and a solvent-accessible surface area term with parameters GA fit to experimental data.
    Pearlman DA; Rao BG; Charifson P
    Proteins; 2008 May; 71(3):1519-38. PubMed ID: 18300249
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Solvent reorganization energy of hole transfer in DNA.
    Kubar T; Elstner M
    J Phys Chem B; 2009 Apr; 113(16):5653-6. PubMed ID: 19331336
    [TBL] [Abstract][Full Text] [Related]  

  • 25. On the simulated scaling based free energy simulations: Adaptive optimization of the scaling parameter intervals.
    Zheng L; Yang W
    J Chem Phys; 2008 Sep; 129(12):124107. PubMed ID: 19045006
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Towards an understanding of many-particle effects in hydrophobic association in methane solutions.
    Izvekov S
    J Chem Phys; 2011 Jan; 134(3):034104. PubMed ID: 21261327
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Thermodynamics of liquids: standard molar entropies and heat capacities of common solvents from 2PT molecular dynamics.
    Pascal TA; Lin ST; Goddard WA
    Phys Chem Chem Phys; 2011 Jan; 13(1):169-81. PubMed ID: 21103600
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Synchronization of trajectories in canonical molecular-dynamics simulations: observation, explanation, and exploitation.
    Uberuaga BP; Anghel M; Voter AF
    J Chem Phys; 2004 Apr; 120(14):6363-74. PubMed ID: 15267525
    [TBL] [Abstract][Full Text] [Related]  

  • 29. A combined study of heat and mass transfer in an infant incubator with an overhead screen.
    Ginalski MK; Nowak AJ; Wrobel LC
    Med Eng Phys; 2007 Jun; 29(5):531-41. PubMed ID: 17030142
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Intramolecular charge transfer with the planarized 4-cyanofluorazene and its flexible counterpart 4-cyano-N-phenylpyrrole. Picosecond fluorescence decays and femtosecond excited-state absorption.
    Druzhinin SI; Kovalenko SA; Senyushkina TA; Demeter A; Machinek R; Noltemeyer M; Zachariasse KA
    J Phys Chem A; 2008 Sep; 112(36):8238-53. PubMed ID: 18710193
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Comment on "New statistical mechanical model for calculating Kirkwood factors in self-associating liquid systems and its application to alkanol+cyclohexane mixtures" [J. Chem. Phys. 127, 114501 (2007)].
    Durov VA
    J Chem Phys; 2009 Jan; 130(4):047101; author reply 047102. PubMed ID: 19191417
    [TBL] [Abstract][Full Text] [Related]  

  • 32. On the adequacy of the Redfield equation and related approaches to the study of quantum dynamics in electronic energy transfer.
    Ishizaki A; Fleming GR
    J Chem Phys; 2009 Jun; 130(23):234110. PubMed ID: 19548714
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Hamiltonian replica exchange molecular dynamics using soft-core interactions.
    Hritz J; Oostenbrink C
    J Chem Phys; 2008 Apr; 128(14):144121. PubMed ID: 18412437
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Local stress and heat flux in atomistic systems involving three-body forces.
    Chen Y
    J Chem Phys; 2006 Feb; 124(5):054113. PubMed ID: 16468857
    [TBL] [Abstract][Full Text] [Related]  

  • 35. The electronic structure of the four nucleotide bases in DNA, of their stacks, and of their homopolynucleotides in the absence and presence of water.
    Ladik J; Bende A; Bogár F
    J Chem Phys; 2008 Mar; 128(10):105101. PubMed ID: 18345925
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Generalized thermodynamic and transport properties. II. Molecular liquids.
    Bertolini D; Tani A
    Phys Rev E Stat Nonlin Soft Matter Phys; 2011 Mar; 83(3 Pt 1):031202. PubMed ID: 21517486
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Computation of the contribution from the cavity effect to protein-ligand binding free energy.
    Grigoriev FV; Gabin SN; Romanov AN; Sulimov VB
    J Phys Chem B; 2008 Dec; 112(48):15355-60. PubMed ID: 18991438
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Efficient free energy calculations for compounds with multiple stable conformations separated by high energy barriers.
    Hritz J; Oostenbrink C
    J Phys Chem B; 2009 Sep; 113(38):12711-20. PubMed ID: 19722597
    [TBL] [Abstract][Full Text] [Related]  

  • 39. A new reaction path for the C + NO reaction: dynamics on the 4A'' potential-energy surface.
    Abrahamsson E; Andersson S; Marković N; Nyman G
    Phys Chem Chem Phys; 2008 Aug; 10(30):4400-9. PubMed ID: 18654679
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Simulating the proton transfer in gramicidin A by a sequential dynamical Monte Carlo method.
    Till MS; Essigke T; Becker T; Ullmann GM
    J Phys Chem B; 2008 Oct; 112(42):13401-10. PubMed ID: 18826179
    [TBL] [Abstract][Full Text] [Related]  

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