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.
Pubmed for Handhelds
PUBMED FOR HANDHELDS
Journal Abstract Search
393 related items for PubMed ID: 17201446
1. Energetics and dynamics in MbCN: CN--vibrational relaxation from molecular dynamics simulations. Danielsson J, Meuwly M. J Phys Chem B; 2007 Jan 11; 111(1):218-26. PubMed ID: 17201446 [Abstract] [Full Text] [Related]
2. Molecular dynamics simulations of CN- dynamics and spectroscopy in myoglobin. Danielsson J, Meuwly M. Chemphyschem; 2007 May 14; 8(7):1077-84. PubMed ID: 17436348 [Abstract] [Full Text] [Related]
3. Anharmonic coupling in molecular dynamics simulations of ligand vibrational relaxation in bound carbonmonoxy myoglobin. Devereux M, Meuwly M. J Phys Chem B; 2009 Oct 01; 113(39):13061-70. PubMed ID: 19725512 [Abstract] [Full Text] [Related]
4. Coordination number of zinc ions in the phosphotriesterase active site by molecular dynamics and quantum mechanics. Koca J, Zhan CG, Rittenhouse RC, Ornstein RL. J Comput Chem; 2003 Feb 01; 24(3):368-78. PubMed ID: 12548728 [Abstract] [Full Text] [Related]
5. Solution 1H NMR study of the active site structure for the double mutant H64Q/V68F cyanide complex from mouse neuroglobin. Yin G, Li Y, Li J, Li J, Du W, Wei Q, Fang W. Biophys Chem; 2008 Aug 01; 136(2-3):115-23. PubMed ID: 18538917 [Abstract] [Full Text] [Related]
6. Ligand-to-metal charge-transfer dynamics in a blue copper protein plastocyanin: a molecular dynamics study. Ando K. J Phys Chem B; 2008 Jan 17; 112(2):250-6. PubMed ID: 18047310 [Abstract] [Full Text] [Related]
7. Potential energy surface and molecular dynamics of MbNO: existence of an unsuspected FeON minimum. Nutt DR, Karplus M, Meuwly M. J Phys Chem B; 2005 Nov 10; 109(44):21118-25. PubMed ID: 16853735 [Abstract] [Full Text] [Related]
8. Photoexcitation dynamics of NO-bound ferric myoglobin investigated by femtosecond vibrational spectroscopy. Park J, Lee T, Park J, Lim M. J Phys Chem B; 2013 Mar 14; 117(10):2850-63. PubMed ID: 23432208 [Abstract] [Full Text] [Related]
9. The roles of electronic exchange and correlation in charge-transfer- to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase. Glover WJ, Larsen RE, Schwartz BJ. J Chem Phys; 2008 Oct 28; 129(16):164505. PubMed ID: 19045282 [Abstract] [Full Text] [Related]
10. Force field optimization using dynamics and ensemble averaged data: vibrational spectra and relaxation in bound MbCO. Devereux M, Meuwly M. J Chem Inf Model; 2010 Mar 22; 50(3):349-57. PubMed ID: 20146509 [Abstract] [Full Text] [Related]
11. Importance of polarization in quantum mechanics/molecular mechanics descriptions of electronic excited states: NaI(H2O)n photodissociation dynamics as a case study. Koch DM, Peslherbe GH. J Phys Chem B; 2008 Jan 17; 112(2):636-49. PubMed ID: 18183959 [Abstract] [Full Text] [Related]
12. Electronic structure of six-coordinate iron(III)-porphyrin NO adducts: the elusive iron(III)-NO(radical) state and its influence on the properties of these complexes. Praneeth VK, Paulat F, Berto TC, George SD, Näther C, Sulok CD, Lehnert N. J Am Chem Soc; 2008 Nov 19; 130(46):15288-303. PubMed ID: 18942830 [Abstract] [Full Text] [Related]
13. Infrared spectroscopy of the cyanide complex of iron (II) myoglobin and comparison with complexes of microperoxidase and hemoglobin. Reddy KS, Yonetani T, Tsuneshige A, Chance B, Kushkuley B, Stavrov SS, Vanderkooi JM. Biochemistry; 1996 Apr 30; 35(17):5562-70. PubMed ID: 8611547 [Abstract] [Full Text] [Related]
14. Phenol-benzene complexation dynamics: quantum chemistry calculation, molecular dynamics simulations, and two dimensional IR spectroscopy. Kwac K, Lee C, Jung Y, Han J, Kwak K, Zheng J, Fayer MD, Cho M. J Chem Phys; 2006 Dec 28; 125(24):244508. PubMed ID: 17199356 [Abstract] [Full Text] [Related]
16. Diffusive dynamics on multidimensional rough free energy surfaces. Banushkina P, Meuwly M. J Chem Phys; 2007 Oct 07; 127(13):135101. PubMed ID: 17919054 [Abstract] [Full Text] [Related]
17. Density functional theory calculations on the mononuclear non-heme iron active site of Hmd hydrogenase: role of the internal ligands in tuning external ligand binding and driving H2 heterolysis. Dey A. J Am Chem Soc; 2010 Oct 06; 132(39):13892-901. PubMed ID: 20831194 [Abstract] [Full Text] [Related]
18. Electronic structure, bonding, spectroscopy and energetics of Fe-dependent nitrile hydratase active-site models. Greene SN, Richards NG. Inorg Chem; 2006 Jan 09; 45(1):17-36. PubMed ID: 16390037 [Abstract] [Full Text] [Related]
19. Construction and assessment of models of CYP2E1: predictions of metabolism from docking, molecular dynamics, and density functional theoretical calculations. Park JY, Harris D. J Med Chem; 2003 Apr 24; 46(9):1645-60. PubMed ID: 12699383 [Abstract] [Full Text] [Related]
20. Anisotropic structural relaxation and its correlation with the excess energy diffusion in the incipient process of photodissociated MbCO: high-resolution analysis via ensemble perturbation method. Takayanagi M, Okumura H, Nagaoka M. J Phys Chem B; 2007 Feb 01; 111(4):864-9. PubMed ID: 17249830 [Abstract] [Full Text] [Related] Page: [Next] [New Search]