Paper Citing NAMD - Abstract
Kondratyev, Maxim Sergeevich; Kabanov, Artem Valerievich; Samchenko, Alexander Anatolievich; Komarov, Vladislav Mikhailovich
High performance computations in the problem of increasing the thermostability of antioxidant enzymes
Vestnik MGTU Stankin, Issue 2, 106-110, 2014
In this article the algorithm of increasing of thermostability of globular antioxidant enzyme human peroxyredoxin 6 is described. Recombinant form of this protein is based on the analysis of a human and rat enzimes. The original concept of increasing the thermostability of small globular proteins based on the expense of alternative hydrogen bonding of the peripheric acidic and basic amino acid residues and essentially updated by molecular dynamic simulations.
