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Browsing 13.Materials of Forums, Conferences and Projects by Subject "molecular dynamics"

Browsing 13.Materials of Forums, Conferences and Projects by Subject "molecular dynamics"

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  • Development and testing of new force fields for molecular dynamics simulations 
    Unknown author (Nazarbayev University, 2013)
    The objective of this research is to develop and test new polarizable atomic force fields (FFs) for “in-vacuum” and “in-water” non-bonded interactions based on AMBER ff99SB-ILDN force fields, improved by inclusion of new ...
  • Development and testing of new force fields for molecular dynamics simulations 
    Balabaev, N. K.; Finkelstein, A. V.; Galzitskaya, O. V.; Garbuzynskiy, S. O.; Glyakina, A. V.; Lobanov, M. Yu.; Matkarimov, B. (Nazarbayev University, 2014)
    Recent progress in modeling of protein folding in Dr. Shaw laboratory has been achieved only after some improvements of potentials of covalent forces, taken from the standard AMBER force field; and still, the force field ...