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Diego_Prada's free-energy [28 articles]

Recent papers added to Diego_Prada's library classified by the tag free-energy. You can also see everyone's free-energy.
  • Complexity of free energy landscapes of peptides revealed by nonlinear principal component analysis
    Proteins: Structure, Function, and Bioinformatics, Vol. 65, No. 4. (2006), pp. 898-913.
    by Phuong H Nguyen
  • Energy landscapes of conformationally constrained peptides
    The Journal of Chemical Physics, Vol. 114, No. 2. (2001), pp. 993-1009.
    by Yaakov Levy, Oren M Becker
    posted to hexapeptide free-energy by Diego_Prada on 2008-07-04 17:33:07 as **
  • Dynamics of hierarchical folding on energy landscapes of hexapeptides
    The Journal of Chemical Physics, Vol. 115, No. 22. (2001), pp. 10533-10547.
    by Yaakov Levy, Joshua Jortner, Oren M Becker
    posted to hexapeptide free-energy by Diego_Prada on 2008-07-04 17:30:57 as **
  • Effect of Conformational Constraints on the Topography of Complex Potential Energy Surfaces
    Physical Review Letters, Vol. 81, No. 5. (1998), 1126.
    by Yaakov Levy, Oren M Becker
    posted to hexapeptide free-energy by Diego_Prada on 2008-07-04 17:20:57 as **
  • Some further applications of discrete path sampling to cluster isomerization
    Molecular Physics, pp. 891-908.
    by David J Wales
    posted to stochastic_processes free-energy by Diego_Prada on 2008-05-07 15:34:07 as **
  • Discrete path sampling
    Molecular Physics, pp. 3285-3305.
    by DJ Wales
    posted to stochastic_processes free-energy by Diego_Prada on 2008-05-07 15:32:10 as **
  • Free energy landscapes of model peptides and proteins
    The Journal of Chemical Physics, Vol. 118, No. 8. (2003), pp. 3891-3897.
    by David A Evans, David J Wales
    posted to coarse-grained free-energy proteins by Diego_Prada on 2008-04-11 20:05:03 as **
  • Network and graph analyses of folding free energy surfaces
    Current Opinion in Structural Biology, Vol. 16, No. 1. (February 2006), pp. 71-78.
    by Amedeo Caflisch
  • Graph transformation method for calculating waiting times in Markov chains
    The Journal of Chemical Physics, Vol. 124, No. 23. (2006)
    by Semen A Trygubenko, David J Wales
    posted to free-energy markov by Diego_Prada on 2008-04-11 19:40:07 as **
  • Energy landscapes and properties of biomolecules
    Physical Biology, Vol. 2, No. 4. (December 2005), S86.
    by David J Wales
    posted to free-energy hot by Diego_Prada on 2008-02-19 11:10:33 as **** along with 1 person mtw
  • Importance of Metastable States in the Free Energy Landscapes of Polypeptide Chains
    Physical Review Letters, Vol. 99, No. 17. (2007)
    by Stefan Auer, Mark A Miller, Sergei V Krivov, Christopher M Dobson, Martin Karplus, Michele Vendruscolo
    posted to free-energy hot by Diego_Prada on 2008-02-19 10:53:07 as *****
  • Free energy disconnectivity graphs: Application to peptide models
    The Journal of Chemical Physics, Vol. 117, No. 23. (2002), pp. 10894-10903.
    by Sergei V Krivov, Martin Karplus
    posted to free-energy by Diego_Prada on 2008-02-19 10:28:36 as *****
  • Potential Energy Surfaces and Conformational Transitions in Biomolecules: A Successive Confinement Approach Applied to a Solvated Tetrapeptide
    Physical Review Letters, Vol. 88, No. 3. (2 January 2002), 038101.
    by Sergei V Krivov, Sergei F Chekmarev, Martin Karplus
    posted to free-energy by Diego_Prada on 2008-02-19 10:26:36 as ****
  • One-Dimensional Free-Energy Profiles of Complex Systems: Progress Variables that Preserve the Barriers.
    J Phys Chem B Condens Matter Mater Surf Interfaces Biophys, Vol. 110, No. 25. (29 June 2006), pp. 12689-12698.
    by SV Krivov, M Karplus
    posted to free-energy by Diego_Prada on 2008-02-19 10:24:24 as ****
  • Hidden complexity of free energy surfaces for peptide (protein) folding.
    Proc Natl Acad Sci U S A, Vol. 101, No. 41. (12 October 2004), pp. 14766-14770.
    by SV Krivov, M Karplus
  • Exploration of the free-energy surface of a three-helix peptide with stochastic optimization methods
    International Journal of Quantum Chemistry, Vol. 99, No. 5. (2004), pp. 854-863.
    by T Herges, A Schug, W Wenzel
    posted to free-energy protein_dynamics by Diego_Prada on 2008-02-19 10:19:16 as **
  • From A to B in free energy space
    The Journal of Chemical Physics, Vol. 126, No. 5. (2007)
    by Davide Branduardi, Francesco L Gervasio, Michele Parrinello
    posted to free-energy hot by Diego_Prada on 2008-02-19 10:14:26 as ***** along with 2 people ruvido kdesmond
  • The Meaning of Component Analysis: Decomposition of the Free Energy in Terms of Specific Interactions
    Journal of Molecular Biology, Vol. 254, No. 5. (15 December 1995), pp. 801-807.
    posted to free-energy pca by Diego_Prada on 2008-02-19 10:11:40 as **** along with 1 person dmobley
  • Free-energy landscape of the villin headpiece in an all-atom force field.
    Structure (Camb), Vol. 13, No. 4. (April 2005), pp. 661-668.
    by T Herges, W Wenzel
    posted to free-energy protein_dynamics by Diego_Prada on 2008-02-19 10:10:21 as *** along with 2 people nigham fjc1
  • Escaping free-energy minima.
    Proc Natl Acad Sci U S A, Vol. 99, No. 20. (1 October 2002), pp. 12562-12566.
  • Energy landscapes: calculating pathways and rates
    International Reviews in Physical Chemistry, Vol. 25, No. 1-2. (8211), pp. 237-282.
    by Wales, J David
    posted to kramers free-energy by Diego_Prada on 2008-02-17 13:20:49 as **
  • Equilibrium thermodynamics from basin-sampling
    The Journal of Chemical Physics, Vol. 124, No. 4. (2006)
    by Tetyana V Bogdan, David J Wales, Florent Calvo
    posted to free-energy by Diego_Prada on 2008-02-17 13:18:39 as *****
  • Potential Energy and Free Energy Landscapes
    J. Phys. Chem. B, Vol. 110, No. 42. (26 October 2006), pp. 20765-20776.
    by DJ Wales, TV Bogdan
    posted to kramers free-energy by Diego_Prada on 2008-02-17 13:17:27 as ** along with 1 person jlh64
  • Energy Landscapes
    (March 2004)
    by D Wales
    posted to free-energy by Diego_Prada on 2008-02-17 13:15:03 as **
  • Construction of effective free energy landscape from single-molecule time series
    Proceedings of the National Academy of Sciences, Vol. 104, No. 49. (4 December 2007), pp. 19297-19302.
    by Akinori Baba, Tamiki Komatsuzaki
  • Topographical complexity of multidimensional energy landscapes
    Proceedings of the National Academy of Sciences, Vol. 103, No. 49. (5 December 2006), pp. 18551-18555.
    by Gareth J Rylance, Roy L Johnston, Yasuhiro Matsunaga, Chun-Biu Li, Akinori Baba, Tamiki Komatsuzaki
    posted to communities csn networks free-energy by Diego_Prada on 2008-02-17 12:50:10 as **
  • Network analysis of protein dynamics.
    FEBS Lett, Vol. 581, No. 15. (24 July 2007), pp. 2776-2782.
  • From the Cover: Complex network analysis of free-energy landscapes
    PNAS, Vol. 104, No. 6. (6 February 2007), pp. 1817-1822.
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