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BMCBI
2007
128views more  BMCBI 2007»
13 years 4 months ago
A robust and efficient algorithm for the shape description of protein structures and its application in predicting ligand bindin
Background: An accurate description of protein shape derived from protein structure is necessary to establish an understanding of protein-ligand interactions, which in turn will l...
Lei Xie, Philip E. Bourne
BMCBI
2010
154views more  BMCBI 2010»
13 years 4 months ago
Binary image representation of a ligand binding site: its application to efficient sampling of a conformational ensemble
Background: Modelling the ligand binding site of a protein is an important component of understanding proteinligand interactions and is being actively studied. Even if the side ch...
Edon Sung, Sangsoo Kim, Whanchul Shin