Chemical information is now seen as critical for most areas of life sciences. But unlike Bioinformatics, where data is Openly available and freely re-usable, most chemical informa...
Peter Murray-Rust, John B. O. Mitchell, Henry S. R...
Bioinformatics is a promising and innovative research field. Despite of a high number of techniques specifically dedicated to bioinformatics problems as well as many successful app...
Udo Seiffert, Barbara Hammer, Samuel Kaski, Thomas...
d Abstract) Leonid Chindelevitch1 , Daniel Ziemek1, , Ahmed Enayetallah2 , Ranjit Randhawa1 , Ben Sidders3 , Christoph Brockel4 , and Enoch Huang1 1 Computational Sciences Center o...
Leonid Chindelevitch, Daniel Ziemek, Ahmed Enayeta...
Background: Accurate peptide identification is important to high-throughput proteomics analyses that use mass spectrometry. Search programs compare fragmentation spectra (MS/MS) o...
Allison Gehrke, Shaojun Sun, Lukasz A. Kurgan, Nat...
Summary: The MolClass toolkit and data portal generates computational models from user-defined small molecule datasets based on structural features identified in hit and non-hit m...