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jwms molecular_dynamics [9 articles]

Neue Publikationen in jwms Bibliothek eingetragen unter dem Bezeichner: molecular_dynamics. You can also see everyone's molecular_dynamics.
  • GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
    J. Chem. Theory Comput. (2 February 2008)
  • Imaging the migration pathways for O2, CO, NO, and Xe inside myoglobin.
    Biophys J, Vol. 91, No. 5. (1 September 2006), pp. 1844-1857.
  • Scalable molecular dynamics with NAMD.
    J Comput Chem, Vol. 26, No. 16. (December 2005), pp. 1781-1802.
    by JC Phillips, R Braun, W Wang, J Gumbart, E Tajkhorshid, E Villa, C Chipot, RD Skeel, L Kalé, K Schulten
  • Approaches to developing biological H(2)-photoproducing organisms and processes.
    Biochem Soc Trans, Vol. 33, No. Pt 1. (February 2005), pp. 70-72.
    by ML Ghirardi, PW King, MC Posewitz, PC Maness, A Fedorov, K Kim, J Cohen, K Schulten, M Seibert
  • Molecular dynamics and experimental investigation of H(2) and O(2) diffusion in [Fe]-hydrogenase.
    Biochem Soc Trans, Vol. 33, No. Pt 1. (February 2005), pp. 80-82.
    by J Cohen, K Kim, M Posewitz, ML Ghirardi, K Schulten, M Seibert, P King
  • Finding gas diffusion pathways in proteins: application to O2 and H2 transport in CpI [FeFe]-hydrogenase and the role of packing defects.
    Structure, Vol. 13, No. 9. (September 2005), pp. 1321-1329.
    by J Cohen, K Kim, P King, M Seibert, K Schulten
  • Second derivatives in generalized Born theory.
    J Comput Chem, Vol. 27, No. 14. (15 November 2006), pp. 1662-1675.
    by RA Brown, DA Case
  • The Amber biomolecular simulation programs.
    J Comput Chem, Vol. 26, No. 16. (December 2005), pp. 1668-1688.
    by DA Case, TE Cheatham, T Darden, H Gohlke, R Luo, KM Merz, A Onufriev, C Simmerling, B Wang, RJ Woods
  • GROMACS: fast, flexible, and free.
    J Comput Chem, Vol. 26, No. 16. (December 2005), pp. 1701-1718.
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