77 search results - page 13 / 16 » A structural keystone for drug design |
BMCBI
2007
14 years 11 months ago
2007
Background: Macromolecular visualization as well as automated structural and functional annotation tools play an increasingly important role in the post-genomic era, contributing ...
99
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BMCBI
2010
14 years 11 months ago
2010
Background: Predicting which molecules can bind to a given binding site of a protein with known 3D structure is important to decipher the protein function, and useful in drug desi...
118
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BIBM
2009
IEEE
15 years 6 months ago
2009
IEEE
Background: Similaritysearch in chemical structure databases is an important problem with many applications in chemical genomics, drug design, and efficient chemical probe screeni...
128
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CIKM
2006
Springer
15 years 3 months ago
2006
Springer
The ability to retrieve molecules based on structural similarity has use in many applications, from disease diagnosis and treatment to drug discovery and design. In this paper, we...
PARA
1998
Springer
15 years 3 months ago
1998
Springer
Abstract. Ahardware and software environment with performance above 1 Tera ops (teracomputing) is presently required to face the leading computational challenges not only in fundam...