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NAR
2011
257views Computer Vision» more  NAR 2011»
12 years 10 months ago
The STRING database in 2011: functional interaction networks of proteins, globally integrated and scored
An essential prerequisite for any systems-level understanding of cellular functions is to correctly uncover and annotate all functional interactions among proteins in the cell. To...
Damian Szklarczyk, Andrea Franceschini, Michael Ku...
ICML
2007
IEEE
14 years 8 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 ...
ICML
2004
IEEE
14 years 8 months ago
Kernel conditional random fields: representation and clique selection
Kernel conditional random fields (KCRFs) are introduced as a framework for discriminative modeling of graph-structured data. A representer theorem for conditional graphical models...
John D. Lafferty, Xiaojin Zhu, Yan Liu
GECCO
2006
Springer
172views Optimization» more  GECCO 2006»
13 years 11 months ago
Multi-objective optimisation of the protein-ligand docking problem in drug discovery
The pharmaceutical industry is facing an ever-increasing demand to discover novel drugs that are more effective and safer than existing ones. The industry faces huge problem in im...
A. Oduguwa, A. Tiwari, S. Fiorentino, R. Roy
BMCBI
2007
168views more  BMCBI 2007»
13 years 7 months ago
Benchmarking consensus model quality assessment for protein fold recognition
Background: Selecting the highest quality 3D model of a protein structure from a number of alternatives remains an important challenge in the field of structural bioinformatics. M...
Liam J. McGuffin