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BMCBI
2008
118views more  BMCBI 2008»
13 years 9 months ago
DOVIS: an implementation for high-throughput virtual screening using AutoDock
Background: Molecular-docking-based virtual screening is an important tool in drug discovery that is used to significantly reduce the number of possible chemical compounds to be i...
Shuxing Zhang, Kamal Kumar, Xiaohui Jiang, Anders ...
BMCBI
2010
193views more  BMCBI 2010»
13 years 9 months ago
MZmine 2: Modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data
Background: Mass spectrometry (MS) coupled with online separation methods is commonly applied for differential and quantitative profiling of biological samples in metabolomic as w...
Tomás Pluskal, Sandra Castillo, Alejandro V...
BMCBI
2008
89views more  BMCBI 2008»
13 years 9 months ago
Increasing the efficiency of bacterial transcription simulations: When to exclude the genome without loss of accuracy
Background: Simulating the major molecular events inside an Escherichia coli cell can lead to a very large number of reactions that compose its overall behaviour. Not only should ...
Marco A. J. Iafolla, Guang Qiang Dong, David R. Mc...
BMCBI
2008
95views more  BMCBI 2008»
13 years 9 months ago
Identification and correction of abnormal, incomplete and mispredicted proteins in public databases
Background: Despite significant improvements in computational annotation of genomes, sequences of abnormal, incomplete or incorrectly predicted genes and proteins remain abundant ...
Alinda Nagy, Hédi Hegyi, Krisztina Farkas, ...
BMCBI
2007
122views more  BMCBI 2007»
13 years 9 months ago
TAP score: torsion angle propensity normalization applied to local protein structure evaluation
Background: Experimentally determined protein structures may contain errors and require validation. Conformational criteria based on the Ramachandran plot are mainly used to disti...
Silvio C. E. Tosatto, Roberto Battistutta