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BMCBI
2010
105views more  BMCBI 2010»
13 years 6 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
108views more  BMCBI 2010»
13 years 6 months ago
An intuitionistic approach to scoring DNA sequences against transcription factor binding site motifs
Background: Transcription factors (TFs) control transcription by binding to specific regions of DNA called transcription factor binding sites (TFBSs). The identification of TFBSs ...
Fernando Garcia-Alcalde, Armando Blanco, Adrian J....
GECCO
2004
Springer
115views Optimization» more  GECCO 2004»
13 years 11 months ago
An Evolutionary Approach with Pharmacophore-Based Scoring Functions for Virtual Database Screening
We have developed a new tool for virtual database screening. This tool, referred to as the Generic Evolutionary Method for molecular DOCKing (GEMDOCK), combines an evolutionary app...
Jinn-Moon Yang, Tsai-Wei Shen, Yen-Fu Chen, Yi-Yua...
ICML
2007
IEEE
14 years 6 months ago
An integrated approach to feature invention and model construction for drug activity prediction
We present a new machine learning approach for 3D-QSAR, the task of predicting binding affinities of molecules to target proteins based on 3D structure. Our approach predicts bind...
David Page, Jesse Davis, Soumya Ray, Vítor ...
BMCBI
2008
134views more  BMCBI 2008»
13 years 6 months ago
Prediction of protein-protein binding site by using core interface residue and support vector machine
Background: The prediction of protein-protein binding site can provide structural annotation to the protein interaction data from proteomics studies. This is very important for th...
Nan Li, Zhonghua Sun, Fan Jiang