Distance geometry problems arise in the determination of protein structure. We consider the case where only a subset of the distances between atoms is given and formulate this distance geometryâ€¦ (More)

We describe a linear-time algorithm for solving the molecular distance geometry problem with exact distances between all pairs of atoms. This problem needs to be solved in every iteration of generalâ€¦ (More)

We study the performance of the dgsol code for the solution of distance geometry problems with lower and upper bounds on distance constraints. The dgsol code uses only a sparse set of distanceâ€¦ (More)

Nuclear magnetic resonance (NMR) structure modeling usually produces a sparse set of inter-atomic distances in protein. In order to calculate the three-dimensional structure of protein, currentâ€¦ (More)

This work studies the build-up method for the global minimization problem for molecular conformation, especially protein folding. The problem is hard to solve for large molecules using generalâ€¦ (More)

This paper discusses a generalization of the function transformation scheme for global energy minimization applied to the molecular conformation problem. A mathematical theory for the method as aâ€¦ (More)

We show that a continuation approach to global optimization with global smoothing techniques can be used to obtain "-optimal solutions to distance geometry problems. We show that determining anâ€¦ (More)