Thursday, 13:15 - 13:40 h, Room: H 3005


Carlile Lavor
A discrete approach for solving distance geometry problems related to protein structure

Coauthors: Leo Liberti, Nelson Maculan, Antonio Mucherino


Nuclear Magnetic Resonance (NMR) experiments can provide distances between pairs of hydrogens of a protein molecule. The problem of identifying the coordinates of all atoms of a molecule by exploiting the information on the distances is a
Molecular Distance Geometry Problem (MDGP). A particular ordering is given to the hydrogens and also to the atoms of the protein backbone which allows to formulate the MDGP as a combinatorial problem, called Discretizable MDGP (DMDGP). We will talk about our efforts that have been directed towards adapting the DMDGP to be an ever closer model of the actual difficulties posed by the problem of determining protein structures from NMR data.


Talk 1 of the invited session Thu.2.H 3005
"Distance geometry and applications" [...]
Cluster 2
"Combinatorial optimization" [...]


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