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GECCO
2000
Springer
127views Optimization» more  GECCO 2000»
13 years 11 months ago
Evolving Molecules for Drug Design Using Genetic Algorithms via Molecular Trees
We present a new representation for a genetic algorithm to evolve molecular structures representing possible drugs that bind to a given protein target receptor. Our representation...
Gerard Kian-Meng Goh, James A. Foster
IPPS
2006
IEEE
14 years 1 months ago
Parallelization and performance characterization of protein 3D structure prediction of Rosetta
The prediction of protein 3D structure has become a hot research area in the post-genome era, through which people can understand a protein’s function in health and disease, exp...
Wenlong Li, Tao Wang, Eric Li, D. Baker, Li Jin, S...
BMCBI
2010
156views more  BMCBI 2010»
13 years 7 months ago
Mathematical model for empirically optimizing large scale production of soluble protein domains
Background: Efficient dissection of large proteins into their structural domains is critical for high throughput proteome analysis. So far, no study has focused on mathematically ...
Eisuke Chikayama, Atsushi Kurotani, Takanori Tanak...
BMCBI
2007
160views more  BMCBI 2007»
13 years 7 months ago
Convergent algorithms for protein structural alignment
Background: Many algorithms exist for protein structural alignment, based on internal protein coordinates or on explicit superposition of the structures. These methods are usually...
Leandro Martínez, Roberto Andreani, Jos&eac...
GECCO
2005
Springer
119views Optimization» more  GECCO 2005»
14 years 1 months ago
A multi-objective evolutionary approach to peptide structure redesign and stabilization
The prediction of the native structures of proteins, the socalled protein folding problem, is a NP hard multi-minima optimization problem for which to date no routine solutions ex...
Tim Hohm, Daniel Hoffmann