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yalexeev's computation [13 articles]

Recent papers added to yalexeev's library classified by the tag computation. You can also see everyone's computation.
  • Protein-protein interactions in actin-myosin binding and structural effects of R405Q mutation: A molecular dynamics study
    Proteins: Structure, Function, and Bioinformatics, Vol. 64, No. 1. (2006), pp. 156-166.
    by Yuemin Liu, Megan Scolari, Wonpil Im, Hyung-June Woo
    posted to computation myosin by yalexeev on 2008-03-24 16:37:30 as **
  • Structural mechanism of the recovery stroke in the myosin molecular motor.
    Proc Natl Acad Sci U S A, Vol. 102, No. 19. (10 May 2005), pp. 6873-6878.
    by S Fischer, B Windshügel, D Horak, KC Holmes, JC Smith
    posted to computation myosin by yalexeev on 2008-03-17 16:25:45 as ** along with 2 people and 2 groups barry shuns structural_bioinformatics Bioinformatics
  • Replica exchange molecular dynamics simulations of amyloid peptide aggregation
    (17 Sep 2004)
    by M Cecchini, F Rao, M Seeber, A Caflisch
    posted to aggregation computation by yalexeev on 2008-03-12 13:51:28 as **
  • A molecular dynamics approach to the structural characterization of amyloid aggregation.
    J Mol Biol, Vol. 357, No. 4. (7 April 2006), pp. 1306-1321.
    by M Cecchini, R Curcio, M Pappalardo, R Melki, A Caflisch
    posted to aggregation computation by yalexeev on 2008-03-12 13:48:07 as ** along with 1 person allmensch
  • Structural Details, Pathways, and Energetics of Unfolding Apomyoglobin
    Journal of Molecular Biology, Vol. 325, No. 3. (January 2003), pp. 555-567.
    by A Onufriev, DA Case, D Bashford
    posted to computation md unfolding by yalexeev on 2008-03-03 14:43:34 as ** along with 1 person saravan
  • 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 **
  • Improved Gō-like models demonstrate the robustness of protein folding mechanisms towards non-native interactions.
    J Mol Biol, Vol. 334, No. 2. (21 November 2003), pp. 309-325.
    by J Karanicolas, CL Brooks
    posted to computation go-model md by yalexeev on 2008-02-12 16:37:53 as **
  • The origins of asymmetry in the folding transition states of protein L and protein G.
    Protein Sci, Vol. 11, No. 10. (October 2002), pp. 2351-2361.
    by J Karanicolas, CL Brooks
    posted to computation go-model md by yalexeev on 2008-02-12 16:37:19 as ** along with 2 people choonpeng iantunbridge
  • Chemistry: Power play : Nature News
    Nature, No. 451. (16 January 2008), pp. 240-243.
    by Brendan Borrell
    posted to computation gpu md by yalexeev on 2008-02-11 12:51:38 as **
  • Accelerating molecular modeling applications with graphics processors.
    J Comput Chem (25 September 2007)
    by John E E Stone, James C C Phillips, Peter L L Freddolino, David J J Hardy, Leonardo G G Trabuco, Klaus Schulten
    posted to computation gpu md by yalexeev on 2008-01-28 14:51:46 as ** along with 7 people and 1 group BragilMassoud ruvido sobolevnrm mikaellund OndrejMarsalek npt11tpn afenley baker-group
  • arXiv:0709.3225 Harvesting graphics power for MD simulations
    posted to computation gpu md by yalexeev on 2008-01-28 14:48:48 as ** along with 1 person ruvido
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