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Euclidean Distance Geometry and Applications
TLDR
The theory of Euclidean distance geometry and its most important applications are surveyed, with special emphasis on molecular conformation problems. Expand
The discretizable molecular distance geometry problem
TLDR
It is shown that under a few assumptions usually satisfied in proteins, the MDGP can be formulated as a search in a discrete space and the DMDGP is NP-hard and a solution algorithm called Branch-and-Prune (BP) is proposed. Expand
Decrease of the incidence of human and canine visceral leishmaniasis after dog vaccination with Leishmune in Brazilian endemic areas.
TLDR
The decrease of canine and human incidence is directly correlated to the increase of the number of vaccinated dogs, confirming the additive control effect of Leishmune vaccination over dog culling, reducing the parasite reservoir, protecting dogs and, in this way, reduced the risk of transmission of VL to humans and becoming a new effective control tool. Expand
A Branch-and-Prune algorithm for the Molecular Distance Geometry Problem
TLDR
A Branch-and-Prune algorithm is proposed for the solution of the Molecular Distance Geometry Problem, showing that under an additional requirement on the given distances this can be transformed to a combinatorial problem. Expand
Distance Geometry: Theory, Methods, and Applications
TLDR
This paper presents an Overview on Protein Structure Determintion by NMR - Historical and Future Perspectives of the Use of Distance Geometry Methods, and some of their applications in Molecular Modeling. Expand
A continuous variable neighborhood search heuristic for finding the three-dimensional structure of a molecule
TLDR
A continuous variable neighborhood search heuristic for minimizing the potential energy function of a molecule and shows that in the great majority of cases the global minimum potential energy of a given molecule corresponds to its three-dimensional structure. Expand
A Function to Test Methods Applied to Global Minimization of Potential Energy of Molecules
TLDR
It is proved that the number of local minimizers of this function increases exponentially with the size of the problem, which characterizes the principal difficulty in minimizing molecular potential energy functions. Expand
Discretization vertex orders in distance geometry
TLDR
This work discusses three types of discretization orders, the complexity of determining their existence in a given graph, and the inclusion relations between the three order existence problems. Expand
A projected gradient method for optimization over density matrices
TLDR
This work proposes a projected gradient method for solving problems in quantum information and computation by exploiting the geometry of the feasible set, which is the intersection of the cone of Hermitian positive semidefinite matrices with the hyperplane defined by the unit trace constraint. Expand
Molecular distance geometry methods: from continuous to discrete
TLDR
Some continuous and discrete methods for solving some problems of molecular distance geometry involve a search in a continuous Euclidean space but sometimes the problem structure helps reduce the search to a discrete set of points. Expand
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