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BMCBI
2010
139views more  BMCBI 2010»
11 years 9 months ago
A global optimization algorithm for protein surface alignment
Background: A relevant problem in drug design is the comparison and recognition of protein binding sites. Binding sites recognition is generally based on geometry often combined w...
Paola Bertolazzi, Concettina Guerra, Giampaolo Liu...
BMCBI
2010
116views more  BMCBI 2010»
11 years 9 months ago
Optimization algorithms for functional deimmunization of therapeutic proteins
Background: To develop protein therapeutics from exogenous sources, it is necessary to mitigate the risks of eliciting an anti-biotherapeutic immune response. A key aspect of the ...
Andrew S. Parker, Wei Zheng, Karl E. Griswold, Chr...
BMCBI
2005
115views more  BMCBI 2005»
11 years 9 months ago
Statistical distributions of optimal global alignment scores of random protein sequences
Background: The inference of homology from statistically significant sequence similarity is a central issue in sequence alignments. So far the statistical distribution function un...
Hongxia Pang, Jiaowei Tang, Su-Shing Chen, Shiheng...
BMCBI
2005
119views more  BMCBI 2005»
11 years 9 months ago
GASH: An improved algorithm for maximizing the number of equivalent residues between two protein structures
Background: We introduce GASH, a new, publicly accessible program for structural alignment and superposition. Alignments are scored by the Number of Equivalent Residues (NER), a q...
Daron M. Standley, Hiroyuki Toh, Haruki Nakamura
COMPLIFE
2006
Springer
12 years 1 months ago
A Point-Matching Based Algorithm for 3D Surface Alignment of Drug-Sized Molecules
Abstract. Molecular shapes play an important role in molecular interactions, e.g., between a protein and a ligand. The `outer' shape of a molecule can be approximated by its s...
Daniel Baum, Hans-Christian Hege
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