3 papers
math.OC2025
A hybrid combinatorial-continuous strategy for solving molecular distance geometry problems
Leonardo D. Secchin, Wagner da Rocha, Mariana da Rosa +2
The Molecular Distance Geometry Problem (MDGP) is essential in structural biology, as it seeks to determine three-dimensional protein structures from partial interatomic distances.…
q-bio.BM2025
An Angle-Based Algorithmic Framework for the Interval Discretizable Distance Geometry Problem
Wagner A. A. da Rocha, Carlile Lavor, Leo Liberti +3
Distance Geometry plays a central role in determining protein structures from Nuclear Magnetic Resonance (NMR) data, a task known as the Molecular Distance Geometry Problem (MDGP).…
math.OC2024
Distance geometry with and without the graph
Leo Liberti, Carlile Lavor
We survey theoretical, algorithmic, and computational results at the intersection of distance geometry problems and mathematical programming, both with and without adjacencies as p…