17 research outputs found
Potentials found: SA vs. CG (triangular lattices).
<p>Relative variation of minimum potentials obtained with simulated annealing respect to the corresponding values from chain growth optimizers, in the case of triangular lattices.</p
Benchmark sequences used in tests.
<p>Characteristics of the benchmark sequences used in the experimentation. The subscripts in sequence characters indicate the number of repetitions for each of them.</p
Number of sessions of simulated annealing that lead to a solution improvement.
<p>Results for both square and triangular lattices are reported.</p
Examples of a pull move in 2D square (drawings on the left) and triangular (drawings on the right) lattices.
<p>The notation to indicate the involved elements is described in the text. The target residue is depicted in red, and the residues that undergo a displacement are colored. In the resulting configurations, the chain portion affected by the move is indicated in blue.</p
Two conformations of the same sequence (HI4) in the 3D square and triangular lattices.
<p>The potential is β27 for the former, and β60 for the latter.</p
Two conformations of the same sequence (HI4) in the 2D square and triangular lattices.
<p>The HP potential is β16 for the former, and β31 for the latter.</p
Experimental evaluation (by CgOptimizer) of the trend of minimum potential vs. dimension for different sequences on square lattices.
<p>In the legend, for each sequence, both length and number of H residues are specified.</p
Comparison of the chain growth algorithm outcomes for square and triangle lattices, referring to the corresponding coordination numbers.
<p>The tests have been carried out over the HI sequences; the minimum potential value is shown on the left, and the runtime on the right.</p
Algorithm 1. The HP potential can be easily obtained in a general way.
<p>It makes use of both the configuration positions and the main directions for the specific lattice.</p
Minimum values for the potential, as found in the tests with simulated annealing for square (left chart) and triangular (right chart) lattices.
<p>Minimum values for the potential, as found in the tests with simulated annealing for square (left chart) and triangular (right chart) lattices.</p