Molecular Structure

The Molecular Structure Section of the open access journal Molecules publishes original research articles, reviews, short communications, and invited perspective articles on all aspects of molecular structure, broadly defined as the study of condensed and gaseous states of matter in the form of molecules (as opposed to atoms, plasmas, or subatomic particles). We welcome manuscripts on fundamental and applied aspects of experimental, theoretical, or computational studies of molecular structure, including but not limited to the following topics:

Atomic force microscopy

Chemical bonding

Cryo-EM

Density functional theory (DFT)

Docking: ligand–receptor, protein–protein, protein–nucleic acid

Graph and network theory

Intrinsically disordered proteins

Mass spectrometry

Molecular clusters: e.g., boranes, carboranes, fullerenes

Molecular dynamics simulations: coarse-grained and atomistic

Molecular interferometry

Molecular similarity

Neutron diffraction

Powder diffraction

Protein structure prediction

Quantum chemistry

Spectroscopy: 2D-IR, IR, NMR, NQR, UV, Visible

SAR and QSAR

X-ray crystallography

Operando TEM

Scanning Transmission Electron Microscopy