High coordination lattice model

R. F. RapoldandW. L. Mattice, New high-coordination lattice model forrotational isomeric state polymerchains, J. Chem. Soc.,FaradayTrans. 91 2435(1995). 

Using this procedure, the classic RIS model for the atomistic chain has been adapted so that it influences the conformations populated by the coarsegrained chain on the high coordination lattice. 

Kolinski and Skolnick [42,147] developed a series of high-coordination lattice protein models that are capable of describing protein structures at various levels of resolution. The simplest of these, the chess-knight model... 

This chapter will review the generation of free-standing thin films and fibers with a coarse-grained simulation method on a high coordination lattice,performed in a manner that allows accurate reverse-mapping of individual replicas to a fully atomistic representation in continuous space.4 After describing some of the properties of these films and fibers, we will present some new information about the limits on the stability of the models of these nanofibers. 

The simulation of polyethylene melts proceeds by random jumps (of length 0.25 nm) by individual beads to unoccupied nearest-neighbor sites on the high coordination lattice, with retention of all connections to bonded beads. These single-bead moves correspond to a variety of local moves in the underlying fidly atomistic model that change the coordinates of 2 or 3 carbon atoms.4 The acceptance or rejection of proposed moves is via the customary Metropolis criteria." ... 

It is worthwhile to mention that the DLL model can be considered as defining a special purpose parallel computer. A large number of microprocessors, each controlling the logic of a single lattice site, when arranged in an architecture of a spatial, highly coordinated lattice system could constitute a machine, the size of which and consequently the size of the simulated system will be limited less by the computation time than by the cost of... 

Isomeric State Models for Polypropylene Melts on a High Coordination Lattice. 

It was mentioned above that the cluster modeling of the surface sites of highly coordinated oxide lattices faces certain difficulties. This is probably the reason why only a few computations were performed for such systems. The aluminum oxide structure is just of this type. 

Highly simplified models of protein structure embedded into low coordination lattices have been used for tertiary structure prediction for almost 20 years [65, 66, 75]. For example, Covell and Jemigan [64] enumerated all possible conformations of five small proteins restricted to fee and bcc lattices. They found that the nativelike conformation always has an energy within 2% of the lowest energy. Virtually simultaneously. Hinds and Levitt [28] used a diamond lattice model where a single lattice unit represents several residues. While such a representation cannot reproduce the geometric details of helices or P-sheets, the topology of native folds could be recovered with moderate accuracy. 

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