| The computer model of growth of the lyzosyme crystals, basis of the data obtained from the Protein Data Bank (PDB), under variety of physicochemical conditions is proposed. The growth unit is constituted by the protein in its HP (hydrophobic-hydrophilic) cubic representation. The growth of the crystal is driven by hydrophobic interactions between incoming growth units and the surface of the crystal. The energy of HH, HP and PP interactions are taken from well-known HP model and can be modified within the limits of Miyazawa-Jernigan matrix, which describes interactions between aminoacids in proteins. Suitably chosen energy values of HH, HP and PP interactions can mimic different physicochemical conditions of the system in which the crystal can grow. Some combinations of energy values lead to the situation that different crystal forms can be obtained what is experimentally confirmed phenomenon. |
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