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sobolevnrms Hummer [26 articles]

Nylige artikler sendt til sobolevnrms bibliotek av forfatteren Hummer. Du kan også see everyone s Hummer.
  • Dynamics of Cholesterol Exchange in the Oxysterol Binding Protein Family
    Journal of Molecular Biology, Vol. In Press, Accepted Manuscript
    by Bertram J Canagarajah, Gerhard Hummer, William A Prinz, James H Hurley
  • notes Coarse Master Equations for Peptide Folding Dynamics
    J. Phys. Chem. B (31 January 2008)
    by NV Buchete, G Hummer
  • Coarse-grained models for simulations of multi-protein complexes: Application to ubiquitin binding
    Journal of Molecular Biology, Vol. In Press, Accepted Manuscript
    by Young C Kim, Gerhard Hummer
  • Protein conformational transitions explored by mixed elastic network models
    Proteins (in press)
    by W Zheng, BR Brooks, G Hummer
  • Metastable Water Clusters in the Nonpolar Cavities of the Thermostable Protein Tetrabrachion
    Journal of the American Chemical Society (in press)
    by H Yin, G Hummer, JC Rasaiah
    posted to solvation by sobolevnrm on 2007-05-29 12:22:59 as read along with 1 group baker-group
  • Water, proton, and ion transport: from nanotubes to proteins
    Molecular Physics, Vol. 105, No. 2-3. (2007), pp. 201-7.
    by G Hummer
    posted to solvation thrombin by sobolevnrm on 2007-05-25 14:36:49 as read along with 1 group baker-group
  • Multi-basin dynamics of a protein in a crystal environment
    Physica D, Vol. 107, No. 2-4. (1997), pp. 225-39.
  • Slow Protein Conformational Dynamics from Multiple Experimental Structures: The Helix/Sheet Transition of Arc Repressor
    Structure, Vol. 13, No. 12. (2005), pp. 1755-63.
    by RB Best, YG Chan, G Hummer
  • Cavity Expulsion and Weak Dewetting of Hydrophobic Solutes in Water
    Physical Review Letters, Vol. 80, No. 19. (1998), pp. 4193-6.
    by G Hummer, S Garde
  • Cooperative water filling of a nonpolar protein cavity observed by high-pressure crystallography and simulation
    Proceedings of the National Academy of Sciences of the United States of America, Vol. 102, No. 46. (2005), pp. 16668-71.
    by MD Collins, G Hummer, ML Quillin, BW Matthews, SM Gruner
    posted to solvation by sobolevnrm on 2007-05-25 14:19:04 as read along with 1 group baker-group
  • Free Energy Surfaces from Single-Molecule Force Spectroscopy
    Accounts of Chemical Research, Vol. 38, No. 7. (2005), pp. 504-13.
    by G Hummer, A Szabo
  • Equation-free: The computer-aided analysis of complex multiscale systems
    AIChE Journal, Vol. 50, No. 7. (2004), pp. 1346-55.
    by IG Kevrekidis, CW Gear, G Hummer
    posted to multiscale by sobolevnrm on 2007-05-25 14:18:04 as read along with 1 group baker-group
  • Reaction coordinates and rates from transition paths
    Proceedings of the National Academy of Sciences of the United States of America, Vol. 102, No. 19. (2005), pp. 6732-7.
    by RB Best, G Hummer
    posted to molecular_simulation by sobolevnrm on 2007-05-25 14:17:41 as read along with 1 group baker-group
  • Coarse Master Equation from Bayesian Analysis of Replica Molecular Dynamics Simulations
    Journal of Physical Chemistry B, Vol. 109, No. 14. (2005), pp. 6479-84.
  • Frontiers of Engineering: Reports on Leading-Edge Engineering from the 2004 NAE Symposium on Frontiers of Engineering.; Equation-free for complex systems
    (2005), pp. 69-76.
    by IG Kevrekidis, CW Gear, G Hummer
    posted to multiscale by sobolevnrm on 2007-05-25 14:16:05 as read along with 1 group baker-group
  • Water clusters in nonpolar cavities
    Proceedings of the National Academy of Sciences of the United States of America, Vol. 101, No. 49. (2004), pp. 17002-5.
    posted to solvation by sobolevnrm on 2007-05-25 14:14:50 as read along with 1 group baker-group
  • Unveiling functional protein motions with picosecond x-ray crystallography and molecular dynamics simulations
    Proceedings of the National Academy of Sciences of the United States of America, Vol. 101, No. 43. (2004), pp. 15330-4.
    by G Hummer, F Schotte, PA Anfinrud
    posted to molecular_dynamics structure by sobolevnrm on 2007-05-25 14:13:42 as read along with 1 group baker-group
  • System-Size Dependence of Diffusion Coefficients and Viscosities from Molecular Dynamics Simulations with Periodic Boundary Conditions
    Journal of Physical Chemistry B, Vol. 108, No. 40. (2004), pp. 15873-9.
    by IC Yen, G Hummer
    posted to diffusion molecular_dynamics by sobolevnrm on 2007-05-25 14:13:09 as read along with 1 group baker-group
  • New perspectives on hydrophobic effects
    Chemical Physics, Vol. 258, No. 2-3. (2000), pp. 349-70.
    by G Hummer, S Garde, AE Garcia, LR Pratt
    posted to solvation by sobolevnrm on 2007-05-25 14:10:27 as read along with 1 group baker-group
  • Prediction of Charge-Induced Molecular Alignment of Biomolecules Dissolved in Dilute Liquid-Crystalline Phases
    Biophysical Journal, Vol. 86, No. 6. (2004), pp. 3444-60.
  • Free Energy of Ionic Hydration
    Journal of Physical Chemistry, Vol. 100, No. 4. (1996), pp. 1206-1215.
    by G Hummer, LR Pratt, Garcã
    posted to electrostatics solvation by sobolevnrm on 2007-05-25 14:06:49 as read along with 1 group baker-group
  • An information theory model of hydrophobic interactions
    Proceedings of the National Academy of Sciences of the United States of America, Vol. 93, No. 17. (1996), pp. 8951-8955.
    posted to solvation by sobolevnrm on 2007-05-25 14:02:29 as read along with 1 group baker-group
  • Diffusion and Electrophoretic Mobility of Single-Stranded RNA from Molecular Dynamics Simulations
    Biophysical Journal, Vol. 86, No. 2. (2004), pp. 681-689.
    by IC Yeh, G Hummer
  • Ion sizes and finite-size corrections for ionic-solvation free energies
    Journal of Chemical Physics, Vol. 107, No. 21. (1997), pp. 9275-9277.
    by G Hummer, LR Pratt, AE Garcia
    posted to electrostatics solvation by sobolevnrm on 2007-05-25 13:55:43 as read along with 1 group baker-group
  • Hydrophobic force field as a molecular alternative to surface-area models
    Journal of the American Chemical Society, Vol. 121, No. 26. (1999), pp. 6299-6305.
    by G Hummer
    posted to solvation by sobolevnrm on 2007-05-25 13:55:43 as read along with 1 group baker-group
  • Coarse molecular dynamics of a peptide fragment: free energy, kinetics, and long-time dynamics computations
    Journal of Chemical Physics, Vol. 118 (2003), pp. 10762-10773.
    posted to molecular_dynamics multiscale by sobolevnrm on 2007-05-25 13:55:02 as read along with 1 group baker-group
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