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The elastic behavior of a single compact chain transporting through an infinite adsorption channel is investigated using the pruned-enriched-Rosenbluth method (PERM). In our model, single compact chain is fixed with one of its first monomer at a position in an infinite adsorption channel, is then pulled slowly along the direction of z-axis. We first calculate the chain size and shape of compact chains...
Elastic behaviors of short single two-dimensional compact chains adsorbed on the attractive surface are investigated in this paper by using the enumeration calculation method. In our model a single compact chain is fixed with one of its end at a position above the impenetrable surface, and then it is pulled away from the attractive surface slowly through elastic force acting. We investigate the chain...
The different structural properties of proteases and nonproteases are well investigated in this paper. The average percentage P L of residues having a number of long-range contacts greater than or equal to N L (>=N L ) for the proteases is larger than that for the nonproteases. The average number of long-range contacts per residue P L,μ in four secondary...
The ATRP of methyl methacrylate (MMA) with the system of FeCl 2 .4H 2 O, N,N,N',N'',N''-penta(methyl acylate)diethylenetriamine (MA 5 -DETA) and ethyl 2-bromoisobutyrate (EBiB) showed high activity and is not well-controlled. The addition of a certain amount of FeCl 3 .6H 2 O as the additive into the above system results in the decrease of the polymerization...
New atomic pair contacts with considering the coordinates of each atom in a residue are introduced here. We analyze the ability of all the 20 amino acid residues to form long-range and short-range contacts by calculating the average numbers of short- and long-range contacts between different amino acid pairs. It is concluded that Phe-Phe, Leu-Phe and Leu-Leu have a high tendency to form contacts....
The average conformation properties, such as the a priori probability Pξη and the segmental orientation function 〈P2(ζ)〉 of polymethylene chains with chain length from N=13 to N=21 are investigated by enumeration calculation method based on the rotational-isomeric state (RIS) model. Here non-local interactions of L–J potential are also considered. In the process of tensile deformation, the a priori...
The long-range contacts contribute more function to the protein folding and play an active role in the stability of protein molecules. In this paper, we calculated the number of short- and long-range contacts from 278 globular proteins and analyzed the effects of amino acids on the long-range contacts by contrasting the average number of the long-range contacts between different amino acid residues...
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