TY - GEN
T1 - On using energy signatures in protein structure similarity searching
AU - Małysiak, Bozena
AU - Momot, Alina
AU - Kozielski, Stanisław
AU - Mrozek, Dariusz
PY - 2008
Y1 - 2008
N2 - The analysis of small molecular substructures (like enzyme active sites) in the whole protein structure can be supported by using methods of similarity searching. These methods allow to search the 3D structural patterns in a database of protein structures. However, the well-known methods of fold similarity searching like VAST or DALI are not appropriate for this task. Methods that benefit from a dependency between a spatial conformation and potential energy of protein structure seem to be more supportive. In the paper, we present a new version of the EAST (Energy Alignment Search Tool) algorithm that uses energy signatures in the process of similarity searching. This makes the algorithm not only more sensitive, but also eliminates disadvantages of previous implementations of our EAST method.
AB - The analysis of small molecular substructures (like enzyme active sites) in the whole protein structure can be supported by using methods of similarity searching. These methods allow to search the 3D structural patterns in a database of protein structures. However, the well-known methods of fold similarity searching like VAST or DALI are not appropriate for this task. Methods that benefit from a dependency between a spatial conformation and potential energy of protein structure seem to be more supportive. In the paper, we present a new version of the EAST (Energy Alignment Search Tool) algorithm that uses energy signatures in the process of similarity searching. This makes the algorithm not only more sensitive, but also eliminates disadvantages of previous implementations of our EAST method.
UR - https://www.scopus.com/pages/publications/48349119050
U2 - 10.1007/978-3-540-69731-2_89
DO - 10.1007/978-3-540-69731-2_89
M3 - Conference contribution
AN - SCOPUS:48349119050
SN - 3540695729
SN - 9783540695721
T3 - Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
SP - 939
EP - 950
BT - Artificial Intelligence and Soft Computing - ICAISC 2008 - 9th International Conference, Proceedings
T2 - 9th International Conference on Artificial Intelligence and Soft Computing, ICAISC 2008
Y2 - 22 June 2008 through 26 June 2008
ER -