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Representation of molecular electrostatic potentials of biopolymer by self‐organizing feature map
Author(s) -
Qiao XueBin,
Jiang Bo,
Hou TingJun,
Xu XiaoJie
Publication year - 2001
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.20010191203
Subject(s) - self organizing map , chemistry , surface (topology) , feature (linguistics) , biopolymer , representation (politics) , surface protein , chemical physics , artificial intelligence , artificial neural network , organic chemistry , computer science , geometry , polymer , linguistics , philosophy , mathematics , virology , politics , political science , law , biology
The Kohonen self‐organizing map was introduced to map the protein molecular surface features. The protein or polypeptide properties, such as shape and molecular electrostatic potential, can be visualized by self‐organizing map, which was trained by the 3D surface coordinates. Such maps allow the visual comparison of molecular properties between proteins having common topological or chemical features.