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» PIC: Protein Interactions Calculator
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BMCBI
2007
102views more  BMCBI 2007»
14 years 9 months ago
Setting up a large set of protein-ligand PDB complexes for the development and validation of knowledge-based docking algorithms
Background: The number of algorithms available to predict ligand-protein interactions is large and ever-increasing. The number of test cases used to validate these methods is usua...
Luis A. Diago, Persy Morell, Longendri Aguilera, E...
EDBT
2009
ACM
241views Database» more  EDBT 2009»
15 years 4 months ago
GADDI: distance index based subgraph matching in biological networks
Currently, a huge amount of biological data can be naturally represented by graphs, e.g., protein interaction networks, gene regulatory networks, etc. The need for indexing large ...
Shijie Zhang, Shirong Li, Jiong Yang
ISCA
2007
IEEE
196views Hardware» more  ISCA 2007»
15 years 4 months ago
Anton, a special-purpose machine for molecular dynamics simulation
The ability to perform long, accurate molecular dynamics (MD) simulations involving proteins and other biological macromolecules could in principle provide answers to some of the ...
David E. Shaw, Martin M. Deneroff, Ron O. Dror, Je...
BMCBI
2010
122views more  BMCBI 2010»
14 years 9 months ago
Ovarian cancer classification based on dimensionality reduction for SELDI-TOF data
Background: Recent advances in proteomics technologies such as SELDI-TOF mass spectrometry has shown promise in the detection of early stage cancers. However, dimensionality reduc...
Kai-Lin Tang, Tong-Hua Li, Wen-Wei Xiong, Kai Chen
BMCBI
2004
159views more  BMCBI 2004»
14 years 9 months ago
Extractor for ESI quadrupole TOF tandem MS data enabled for high throughput batch processing
Background: Mass spectrometry based proteomics result in huge amounts of data that has to be processed in real time in order to efficiently feed identification algorithms and to e...
Andreas M. Boehm, Robert P. Galvin, Albert Sickman...