The idea is to fit all known local minima with a convex function which underestimates all of them, but which differs from them by the minimum possible amount in ...
We know the CGU doesn't get stuck in kinetic traps because the search time is independent of the shapes of the landscapes (amino acid sequence and composition).
A deterministic global optimization algorithm is introduced for locating global minimum potential energy molecular conformations. The proposed branch and bound ...
Two important problems in computational biology are the prediction of the structure of a protein, given its sequence of amino acids (the protein folding ...
Abstract. The CGU (convex global underestimator) global optimization method is used to predict the minimum energy structures, i.e. folded states, ...
We present a general overview of some of the most recent approaches for solving the molecular distance geometry problem, namely, the ABBIE algorithm, the DGSOL.
Aug 19, 2011 · One way is to underestimate the original nonconvex total potential energy function with a convex function whose single global minimum can be ...
Aug 23, 2024 · Convex relaxations find extensive applications in these algorithms for determining lower bounds because their local (and hence global) minimum ...
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We know the CGU doesn't get stuck in kinetic traps because the search time is independent of the shapes of the landscapes (amino acid sequence and composition).
Molecular structure determination by convex global underestimation of local energy minima · Thermodynamics and kinetics of protein folding · Beyond optimization ...