COMPUTER MODEL OF A LYSOZYME CRYSTAL GROWTH WITH/WITHOUT NANOTEMPLATE — A COMPARISON

Abstract

The results of a computer simulation of the lysozyme crystal growth influenced by monomer and tetramer (aggregate) units are discussed. A very recently introduced computer model of biopolymer crystal growth and aggregation is based on the 2D lattice Monte Carlo technique and the coarse-grained HP approximation of the lysozyme monomeric unit. Acceleration of the lysozyme crystal growth by a factor of 4/3, based on the 2AUB (PDB ID) lysozyme unit, obtained from the Langmuir–Blodgett nanotemplate method, has clearly been confirmed by means of the proposed computer simulation. It is concluded that the aggregates (tetramers) involving 2AUB lysozyme crystal growth can be expected to be slightly accelerated when compared to its monomer-based (PDB ID: 193L) counterpart, which is in excellent accord with very recent experimental findings of the emerging applied science called protein nanocrystallography.