Abstract CHARMM (Chemistry at HARvard Molecular Mechanics) is a highly versatile and
widely used molecular simulation program. It has been developed over the last three …

The bacterial multienzyme polyketide synthases (PKSs) produce a diverse array of products
that have been developed into medicines, including antibiotics and anticancer agents. The …

EMAN is a scientific image processing package with a particular focus on single particle
reconstruction from transmission electron microscopy (TEM) images. It was first released in …

A computational procedure is described for assigning the absolute hand of the structure of a
protein or assembly determined by single-particle electron microscopy. The procedure …

The x-ray crystal structure of a 194-kDa fragment from module 5 of the 6-deoxyerythronolide
B synthase has been solved at 2.7 Å resolution. Each subunit of the homodimeric protein …

Building structural models of entire cells has been a long-standing cross-discipline
challenge for the research community, as it requires an unprecedented level of integration …

Recent advances in single molecule experiments have raised many challenges. These
challenges can be met by a proper understanding of the inter-and intra-molecular …

SUMMARY Lipoic acid [(R)-5-(1, 2-dithiolan-3-yl) pentanoic acid] is an enzyme cofactor
required for intermediate metabolism in free-living cells. Lipoic acid was discovered nearly …

Many current cancer vaccine strategies suffer from the inability to mount a CD8 T cell
response that is strong enough to overcome the low immunogenicity of tumors. Viruses …

Proteins that self-assemble into regular shell-like polyhedra are useful, both in nature and in
the laboratory, as molecular containers. Here we describe cryo-electron microscopy (EM) …