Molecular simulation methods, such as molecular docking, molecular dynamic (MD)
simulation, and quantum chemical (QC) calculation, have become popular as …

Abstract Background The Critical Assessment of Functional Annotation (CAFA) is an
ongoing, global, community-driven effort to evaluate and improve the computational …

With the exponential growth in the determination of protein sequences and structures via
genome sequencing and structural genomics efforts, there is a growing need for reliable …

Automated annotation of protein function is challenging. As the number of sequenced
genomes rapidly grows, the overwhelming majority of protein products can only be …

Determining the structure and function of a novel protein is a cornerstone of many aspects of
modern biology. Over the past decades, a number of computational tools for structure …

Abstract 3DLigandSite is a web tool for the prediction of ligand-binding sites in proteins.
Here, we report a significant update since the first release of 3DLigandSite in 2010. The …

Abstract Ocean Sampling Day was initiated by the EU-funded Micro B3 (Marine Microbial
Biodiversity, Bioinformatics, Biotechnology) project to obtain a snapshot of the marine …

While genome sequencing projects have generated tremendous amounts of protein
sequence data for a vast number of genomes, substantial portions of most genomes are still …

Peroxiredoxins (Prxs) are a widespread and highly expressed family of cysteine‐based
peroxidases that react very rapidly with H2O2, organic peroxides, and peroxynitrite. Correct …

Understanding protein function is one of the keys to understanding life at the molecular
level. It is also important in the context of human disease because many conditions arise as …