Shantenu Jha

Summary

Affiliation: University College London
Country: UK

Publications

  1. ncbi request reprint Force field validation for nucleic acid simulations: comparing energies and dynamics of a DNA dodecamer
    Shantenu Jha
    Centre for Computational Science, University College London, London WC1H 0AJ, United Kingdom
    J Comput Chem 26:1617-27. 2005
  2. ncbi request reprint Grid-based steered thermodynamic integration accelerates the calculation of binding free energies
    Philip W Fowler
    Centre for Computational Science, Department of Chemistry, University College London, Christopher Ingold Laboratories, UK
    Philos Transact A Math Phys Eng Sci 363:1999-2015. 2005

Collaborators

Detail Information

Publications2

  1. ncbi request reprint Force field validation for nucleic acid simulations: comparing energies and dynamics of a DNA dodecamer
    Shantenu Jha
    Centre for Computational Science, University College London, London WC1H 0AJ, United Kingdom
    J Comput Chem 26:1617-27. 2005
    ..This sets the stage for reliable large-scale simulations of nucleic acids using NAMD...
  2. ncbi request reprint Grid-based steered thermodynamic integration accelerates the calculation of binding free energies
    Philip W Fowler
    Centre for Computational Science, Department of Chemistry, University College London, Christopher Ingold Laboratories, UK
    Philos Transact A Math Phys Eng Sci 363:1999-2015. 2005
    ..Initial results for the Src SH2 system are presented and compared to a reported experimental value. Finally, we discuss the significance of our approach...