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  • [[Category:Software]][[Category:Molecular Dynamics]][[Category:Chemistry]][[Category:Biology]] ...Schulten. Scalable molecular dynamics with NAMD. Journal of Computational Chemistry, 26:1781-1802, 2005. abstract, journal
    2 KB (249 words) - 17:04, 6 September 2017
  • ...are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing reso
    3 KB (377 words) - 21:31, 6 December 2019
  • [[Category:Software]][[Category:Chemistry]] CHARMM (Chemistry at HARvard Macromolecular Mechanics):
    3 KB (361 words) - 20:58, 2 August 2021
  • [[Category:Software]][[Category:Computational Chemistry]][[Category:Molecular Dynamics]]
    2 KB (258 words) - 21:24, 6 December 2019
  • [[Category:Software]][[Category:Computational Chemistry]][[Category:Molecular Dynamics]]
    3 KB (331 words) - 21:20, 6 December 2019
  • ...ectron correlation methods, which significantly reduce the increase of the computational cost with molecular size, accurate ab initio calculations can be performed
    3 KB (472 words) - 21:22, 6 December 2019
  • ...agmentation and structure elucidation using MS-FINDER software. Analytical Chemistry 88, 7946-7958, 2016.
    3 KB (373 words) - 14:34, 22 February 2021