TY - JOUR
T1 - Visualization and analysis of protein structures using Euclidean Voronoi diagram of atoms
AU - Kim, Deok Soo
AU - Kim, Donguk
AU - Cho, Youngsong
AU - Ryu, Joonghyun
AU - Cho, Cheol Hyung
AU - Park, Joon Young
AU - Lee, Hyun Chan
PY - 2005
Y1 - 2005
N2 - Protein consists of amino acids, and an amino acid consists of atoms. Given a protein, understanding its functions is critical for various reasons for designing new drugs, treating diseases, and so on. Due to recent researches, it is now known that the structure of protein directly influences its functions. Hence, there have been strong research trends towards understanding the geometric structure of proteins. In this paper, we present a Euclidean Voronoi diagram of atoms constituting a protein and show how this computational tool can effectively and efficiently contribute to various important problems in biology. Some examples, among others, are the computations for molecular surface, solvent accessible surface, extraction of pockets, interaction interface, convex hull, etc.
AB - Protein consists of amino acids, and an amino acid consists of atoms. Given a protein, understanding its functions is critical for various reasons for designing new drugs, treating diseases, and so on. Due to recent researches, it is now known that the structure of protein directly influences its functions. Hence, there have been strong research trends towards understanding the geometric structure of proteins. In this paper, we present a Euclidean Voronoi diagram of atoms constituting a protein and show how this computational tool can effectively and efficiently contribute to various important problems in biology. Some examples, among others, are the computations for molecular surface, solvent accessible surface, extraction of pockets, interaction interface, convex hull, etc.
UR - http://www.scopus.com/inward/record.url?scp=24944494980&partnerID=8YFLogxK
U2 - 10.1007/11424857_107
DO - 10.1007/11424857_107
M3 - Conference article
AN - SCOPUS:24944494980
SN - 0302-9743
VL - 3482
SP - 993
EP - 1002
JO - Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
JF - Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
IS - III
T2 - International Conference on Computational Science and Its Applications - ICCSA 2005
Y2 - 9 May 2005 through 12 May 2005
ER -