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Simulation of lysozyme crystal growth by the Monte Carlo method

Published on Mar 1, 1991in Journal of Crystal Growth1.57
· DOI :10.1016/0022-0248(91)90864-2
S.D. Durbin2
Estimated H-index: 2
(UCSD: University of California, San Diego),
G. Feher3
Estimated H-index: 3
(UCSD: University of California, San Diego)
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Abstract
Abstract The main features of the observed crystal growth of the protein lysozyme are reproduced by Monte Carlo simulations based on a simple model. The free parameters of the model are the strengths of the three main types of protein-protein contacts occurring in the P4 3 2 1 2 lattice of the tetragonal form of lysozyme and the equilibrium rate of attachment of molecules to lattice sites. The simulated crystal surfaces, like the actual surfaces observed by electron microscopy, display structures characteristic of growth by a two-dimensional nucleation mechanism. By simulating growth for different values of the bond strengths, we found that both the observed crossover in relative growth rate of the (101) and (110) faces (and resulting habit change) and the double-layer structure of islands on the (110) face arise from a difference in the attachment energy of alternate (110) layers. In contrast, the elongated shape of the islands on (110) is mainly due to the topology of the bonding and is not very dependent on bond strengths.
  • References (8)
  • Citations (61)
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References8
Newest
#1John D. Weeks (Bell Labs)H-Index: 36
#2George H. Gilmer (Bell Labs)H-Index: 50
#1S.D. Durbin (UCSD: University of California, San Diego)H-Index: 1
#2G. Feher (UCSD: University of California, San Diego)H-Index: 49
#1Marc L. Pusey (MSFC: Marshall Space Flight Center)H-Index: 26
#2Robert J. Naumann (MSFC: Marshall Space Flight Center)H-Index: 8
#1S.D. Durbin (UCSD: University of California, San Diego)H-Index: 2
#2G. Feher (UCSD: University of California, San Diego)H-Index: 3
#1Zvi Kam (UCSD: University of California, San Diego)H-Index: 41
#2H.B. Shore (SDSU: San Diego State University)H-Index: 1
Last.G. Feher (UCSD: University of California, San Diego)H-Index: 49
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#1J. Vandereerden (CUA: The Catholic University of America)H-Index: 19
#2P. Bennema (CUA: The Catholic University of America)H-Index: 8
Last.T.A. CherepanovaH-Index: 2
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#1John Moult (Weizmann Institute of Science)H-Index: 8
#2Ada Yonath (Weizmann Institute of Science)H-Index: 45
Last.A. Saya (Weizmann Institute of Science)H-Index: 1
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#1C.C.F. Blake (University of Oxford)H-Index: 33
#2G. A. Mair (University of Oxford)H-Index: 2
Last.V. R. Sarma (University of Oxford)H-Index: 2
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Cited By61
Newest
#1Joseph Sang-Il Kwon (UCLA: University of California, Los Angeles)H-Index: 16
#2Michael Nayhouse (UCLA: University of California, Los Angeles)H-Index: 13
Last.Panagiotis D. Christofides (UCLA: University of California, Los Angeles)H-Index: 59
view all 5 authors...
#1Yohei Kamano (Dodai: Doshisha University)H-Index: 1
#2Kazunori Kadota (Osaka University of Pharmaceutical Sciences)H-Index: 13
Last.Jusuke Hidaka (Dodai: Doshisha University)H-Index: 17
view all 5 authors...
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