Mammalian cytochromes P450 are an important class of enzymes involved in the
biotransformation of many endo-and exogenous compounds. Cytochrome P450 isoforms …

In this review we examine the structure and function of the extrinsic proteins of Photosystem
II. These proteins include PsbO, present in all oxygenic organisms, the PsbP and PsbQ …

Transmembrane (TM) proteins are major drug targets, but their structure determination, a
prerequisite for rational drug design, remains challenging. Recently, the DeepMind's …

Tunnels and channels facilitate the transport of small molecules, ions and water solvent in a
large variety of proteins. Characteristics of individual transport pathways, including their …

Docking of small molecule compounds into the binding site of a receptor and estimating the
binding affinity of the complex is an important part of the structure-based drug design …

Channelrhodopsins (ChRs) are light-gated cation channels derived from algae that have
shown experimental utility in optogenetics; for example, neurons expressing ChRs can be …

Photosystem II (PSII) is a large homodimeric protein–cofactor complex located in the
photosynthetic thylakoid membrane that acts as light-driven water: plastoquinone …

As larger macromolecular structures become available, there is a growing need to
understand their 'internal'volumes—such as deep clefts, channels and cavities—as these …

Cavities are a ubiquitous feature of chemical structures encountered in various fields
ranging from supramolecular chemistry to molecular biology. They are involved in the …

Background Channels and pores in biomacromolecules (proteins, nucleic acids and their
complexes) play significant biological roles, eg, in molecular recognition and enzyme …