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BMCBI
2010
105views more  BMCBI 2010»
13 years 9 months ago
A knowledge-guided strategy for improving the accuracy of scoring functions in binding affinity prediction
Background: Current scoring functions are not very successful in protein-ligand binding affinity prediction albeit their popularity in structure-based drug designs. Here, we propo...
Tiejun Cheng, Zhihai Liu, Renxiao Wang
BMCBI
2010
205views more  BMCBI 2010»
13 years 9 months ago
A fast indexing approach for protein structure comparison
Background: Protein structure comparison is a fundamental task in structural biology. While the number of known protein structures has grown rapidly over the last decade, searchin...
Lei Zhang, James Bailey, Arun Siddharth Konagurthu...
BMCBI
2010
113views more  BMCBI 2010»
13 years 9 months ago
Efficient protein alignment algorithm for protein search
Background: Proteins show a great variety of 3D conformations, which can be used to infer their evolutionary relationship and to classify them into more general groups; therefore ...
Zaixin Lu, Zhiyu Zhao, Bin Fu
BMCBI
2007
151views more  BMCBI 2007»
13 years 9 months ago
A statistical method to incorporate biological knowledge for generating testable novel gene regulatory interactions from microar
Background: The incorporation of prior biological knowledge in the analysis of microarray data has become important in the reconstruction of transcription regulatory networks in a...
Peter Larsen, Eyad Almasri, Guanrao Chen, Yang Dai
BMCBI
2010
113views more  BMCBI 2010»
13 years 9 months ago
Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse
Background: Predicting metabolic sites is important in the drug discovery process to aid in rapid compound optimisation. No interactive tool exists and most of the useful tools ar...
Lars Carlsson, Ola Spjuth, Samuel Adams, Robert C....
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