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yalexeev's Karplus [18 articles]

Recent papers posted to yalexeev's library by the author Karplus. You can also see everyone's Karplus.
  • Molecular dynamics simulations of biomolecules.
    Nat Struct Biol, Vol. 9, No. 9. (September 2002), pp. 646-652.
    by M Karplus, JA McCammon
    posted to md by yalexeev on 2008-09-04 17:02:04 as ** along with 5 people baaden aqeel simone RamuAnandakrishnan LamBras
  • Intrinsic motions along an enzymatic reaction trajectory
    Nature (18 November 2007)
    by Katherine A Henzler-Wildman, Vu Thai, Ming Lei, Maria Ott, Magnus Wolf-Watz, Tim Fenn, Ed Pozharski, Mark A Wilson, Gregory A Petsko, Martin Karplus, Christian G Hübner, Dorothee Kern
    posted to karplus by yalexeev on 2008-04-23 12:24:19 as ** along with 6 people and 1 group aqeel ebeutler cactus sobolevnrm paulschlesinger jlh64 baker-group
  • The Unfolding Action of GroEL on a Protein Substrate
    Biophys. J., Vol. 87, No. 1. (1 July 2004), pp. 562-573.
    by Arjan van der Vaart, Jianpeng Ma, Martin Karplus
    posted to computation md unfolding by yalexeev on 2008-02-29 15:34:34 as **
  • Titration calculations of foot-and-mouth disease virus capsids and their stabilities as a function of pH
    Journal of Molecular Biology, Vol. 275, No. 2. (16 January 1998), pp. 295-308.
    by Herman W van Vlijmen, Stephen Curry, Michael Schaefer, Martin Karplus
    posted to computation md ph-calculations by yalexeev on 2008-02-21 16:19:39 as **
  • pH-Dependence of Protein Stability: Absolute Electrostatic Free Energy Differences between Conformations
    J. Phys. Chem. B, Vol. 101, No. 9. (27 February 1997), pp. 1663-1683.
    by M Schaefer, M Sommer, M Karplus
    posted to computation md ph-calculations by yalexeev on 2008-02-13 17:27:43 as **
  • Aspects of Protein Reaction Dynamics: Deviations from Simple Behavior
    J. Phys. Chem. B, Vol. 104, No. 1. (13 January 2000), pp. 11-27.
    by M Karplus
    posted to kinetics by yalexeev on 2008-01-28 14:42:23 as ** along with 2 people ruvido Diego_Prada
  • Energy equipartitioning in the classical time-dependent Hartree approximation
    The Journal of Chemical Physics, Vol. 94, No. 10. (1991), pp. 6737-6739.
    by John E Straub, Martin Karplus
    posted to esmd by yalexeev on 2008-01-09 12:15:59 as **
  • notes Allosteric Communication in Myosin: From Small Conformational Changes to Large Directed Movements
    (2007)
    by M Cecchini, A Houdusse, M Karplus
    posted to no-tag by yalexeev on 2008-01-08 16:14:17 as **
  • The Unfolding Action of GroEL on a Protein Substrate
    Biophysical Journal, Vol. 87, No. 1. (2004), pp. 562-573.
    by A van der Vaart, J Ma, M Karplus
    posted to no-tag by yalexeev on 2008-01-08 16:14:17 as **
  • Native and non-native interactions along protein folding and unfolding pathways
    Proteins Structure Function and Genetics, Vol. 47, No. 3. (2002), pp. 379-392.
    by E Paci, M Vendruscolo, M Karplus
    posted to no-tag by yalexeev on 2008-01-08 16:14:17 as **
  • Effective Energy Function for Proteins in Solution
    Proteins: Structure, Function, and Genetics, Vol. 35 (1999), pp. 133-152.
    by T Lazaridis, M Karplus
    posted to no-tag by yalexeev on 2008-01-08 16:14:17 as **
  • Simulation of activation free energies in molecular systems
    The Journal of Chemical Physics, Vol. 105 (1996), pp. 1902-1921.
    by E Neria, S Fischer, M Karplus
    posted to no-tag by yalexeev on 2008-01-08 16:14:17 as **
  • Polar hydrogen positions in proteins: empirical energy placement and neutron diffraction comparison.
    Proteins:Structure, Function and Genetics, Vol. 4, No. 2. (1988), pp. 148-56.
    by AT Brunger, M Karplus
    posted to no-tag by yalexeev on 2008-01-08 16:14:17 as **
  • CHARMM: a program for macromolecular energy, minimization, and dynamics calculations
    Journal of computational chemistry, Vol. 4, No. 2. (1983), pp. 187-217.
    by BR Brooks, RE Bruccoleri, BD Olafson, DJ States, S Swaminathan, M Karplus
    posted to no-tag by yalexeev on 2008-01-08 16:14:16 as **
  • Retinoic Acid Receptor: A Simulation Analysis of Retinoic Acid Binding and the Resulting Conformational Changes
    Journal of Molecular Biology, Vol. 291, No. 1. (1999), pp. 101-115.
    by A Blondel, JP Renaud, S Fischer, D Moras, M Karplus
    posted to no-tag by yalexeev on 2008-01-08 16:14:16 as **
  • Enhanced sampling in molecular dynamics: use of the time-dependent Hartree approximation for a simulation of carbon monoxide diffusion through myoglobin
    Journal of the American Chemical Society, Vol. 112, No. 25. (1990), pp. 9161-9175.
    by R Elber, M Karplus
    posted to esmd by yalexeev on 2008-01-08 16:14:15 as **
  • A Kinetic Model of Coordinated Myosin V
    Biochemistry, Vol. 46, No. 21. (2007), pp. 6318-6330.
    by Y Wu, YQ Gao, M Karplus
    posted to no-tag by yalexeev on 2008-01-08 16:14:13 as **
  • Biomolecular motors: the F1-ATPase paradigm
    Current Opinion in Structural Biology, Vol. 14, No. 2. (2004), pp. 250-259.
    by M Karplus, YQ Gao
    posted to no-tag by yalexeev on 2008-01-08 16:14:12 as **
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