Beilstein Journal of Organic Chemistry: Open Access comes of age in Organic Chemistry

• Peter H. Seeberger

Beilstein J. Org. Chem. 2012, 8, 1284–1286, doi:10.3762/bjoc.8.145

• significant role in communicating the advantages of the Journal to colleagues, and in the selection of new Thematic Series, which have been particularly successful for the Journal. All articles are permanently stored in public archives, such as PubMed Central, and indexed by scientific databases. Impact

Synthesis and in silico screening of a library of β-carboline-containing compounds

• Kay M. Brummond,
• John R. Goodell,
• Matthew G. LaPorte,
• Lirong Wang and
• Xiang-Qun Xie

Beilstein J. Org. Chem. 2012, 8, 1048–1058, doi:10.3762/bjoc.8.117

• been employed to generate thousands of the organic compounds that have been deposited in the NIH molecular repository for medicinal chemistry research. Deciphering the therapeutic potential of this many compounds is a continuing challenge. By combining chemogenomics databases, such as Protein Data Base

The use of glycoinformatics in glycochemistry

• Thomas Lütteke

Beilstein J. Org. Chem. 2012, 8, 915–929, doi:10.3762/bjoc.8.104

• that can be of use to glycobiologists, but also to chemists who work on the synthesis or analysis of carbohydrates. This article gives an overview of existing glyco-specific databases and tools, with a focus on their application to glycochemistry: Databases can provide information on candidate glycan

• structures for synthesis, or on glyco-enzymes that can be used to synthesize carbohydrates. Statistical analyses of glycan databases help to plan glycan synthesis experiments. 3D-Structural data of protein–carbohydrate complexes are used in targeted drug design, and tools to support glycan structure analysis

• aid with quality control. Specific problems of glycoinformatics compared to bioinformatics for genomics or proteomics, especially concerning integration and long-term maintenance of the existing glycan databases, are also discussed. Keywords: carbohydrates; databases; glycomics; software

Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines

• Sihui Long,
• Venkatraj Muthusamy,
• Peter G. Willis,
• Sean Parkin and
• Arthur Cammers

Beilstein J. Org. Chem. 2008, 4, No. 23, doi:10.3762/bjoc.4.23

• hydrogen bond motif to local, more directional forces. Should all molecules capable of hydrogen bonding build lattices of Ci symmetric aggregates with Z' = 1 at the expense of local interactions? No, local and dispersive forces can also synergize to construct the solid state. Crystal structure databases

• problem of calculating marginal differences in large energetic contributions to the organic solid state has been the subject of previous conjecture, this study is one example of the nature of the problem, unveiled and dissected. The results provide a caveat for mining crystal structure databases and