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Journal Abstract Search

379 related items for PubMed ID: 23160171

  • 21. Force field for molecular dynamics studies of glycine/water mixtures in crystal/solution environments.
    Gnanasambandam S, Hu Z, Jiang J, Rajagopalan R.
    J Phys Chem B; 2009 Jan 22; 113(3):752-8. PubMed ID: 19115812
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  • 23. pKa calculations in solution and proteins with QM/MM free energy perturbation simulations: a quantitative test of QM/MM protocols.
    Riccardi D, Schaefer P, Cui Q.
    J Phys Chem B; 2005 Sep 22; 109(37):17715-33. PubMed ID: 16853267
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  • 26. The self-consistent charge density functional tight binding method applied to liquid water and the hydrated excess proton: benchmark simulations.
    Maupin CM, Aradi B, Voth GA.
    J Phys Chem B; 2010 May 27; 114(20):6922-31. PubMed ID: 20426461
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  • 27. QM/MM excited state molecular dynamics and fluorescence spectroscopy of BODIPY.
    Briggs EA, Besley NA, Robinson D.
    J Phys Chem A; 2013 Mar 28; 117(12):2644-50. PubMed ID: 23461546
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  • 29. A comparative theoretical study of dipeptide solvation in water.
    Hugosson HW, Laio A, Maurer P, Rothlisberger U.
    J Comput Chem; 2006 Apr 15; 27(5):672-84. PubMed ID: 16477697
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  • 30. Quantum refinement of protein structures: implementation and application to the red fluorescent protein DsRed.M1.
    Hsiao YW, Sanchez-Garcia E, Doerr M, Thiel W.
    J Phys Chem B; 2010 Nov 25; 114(46):15413-23. PubMed ID: 20977248
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  • 31. Leading RNA tertiary interactions: structures, energies, and water insertion of A-minor and P-interactions. A quantum chemical view.
    Sponer JE, Réblova K, Mokdad A, Sychrovský V, Leszczynski J, Sponer J.
    J Phys Chem B; 2007 Aug 02; 111(30):9153-64. PubMed ID: 17602515
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  • 33. Control of X-ray Induced Electron and Nuclear Dynamics in Ammonia and Glycine Aqueous Solution via Hydrogen Bonding.
    Unger I, Hollas D, Seidel R, Thürmer S, Aziz EF, Slavíček P, Winter B.
    J Phys Chem B; 2015 Aug 20; 119(33):10750-9. PubMed ID: 26225896
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  • 35. Molecular modeling study of dihydrofolate reductase inhibitors. Molecular dynamics simulations, quantum mechanical calculations, and experimental corroboration.
    Tosso RD, Andujar SA, Gutierrez L, Angelina E, Rodríguez R, Nogueras M, Baldoni H, Suvire FD, Cobo J, Enriz RD.
    J Chem Inf Model; 2013 Aug 26; 53(8):2018-32. PubMed ID: 23834278
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  • 36. Electron-attachment resonances of glycine zwitterions from quantum scattering calculations: modeling macrosolvation effects.
    Baccarelli I, Grandi A, Gianturco FA, Lucchese RR, Sanna N.
    J Phys Chem B; 2006 Dec 28; 110(51):26240-7. PubMed ID: 17181282
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  • 37. [Interactions of DNA bases with individual water molecules. Molecular mechanics and quantum mechanics computation results vs. experimental data].
    Gonzalez E, Lino J, Deriabina A, Herrera JN, Poltev VI.
    Biofizika; 2013 Dec 28; 58(5):748-57. PubMed ID: 25481943
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