Browse our latest Structural Biology and Molecular Biophysics articles

New protein-protein docking algorithm combining deep learning (AlphaFold2) and physics (Rosetta and enhanced sampling) achieves high success rates.

AACDB provides a comprehensive, manually curated antigen-antibody interface dataset with rich metadata, interaction annotations, and therapeutic target annotations to advance antibody drug development.

Solution biophysics defines the influence of local dynamics and allosteric regulation on guide RNA binding affinity and DNA cleavage specificity in a thermophilic Cas9 from Geobacillus stearothermophilus.

Structural and biochemical analyses suggest the association of homotrimeric CesAs of different isoforms into cellulose biosynthesis complexes via their class-specific regions.

Lysophospholipids directly and reversibly activate pannexin channels, triggering the release of signaling molecules critical for inflammation.

Multiple walker supervised molecular dynamics simulations deliver insights on glucagon-like peptide 1 receptor activation, G_s protein binding, and guanosine diphosphate release from the G_sα subunit using an adaptive sampling approach.

Bulding a cardiolipin binding site into a computationally designed transmembrane protein uncovers how proteins can recognize specific lipids and use them to regulate their function.

Germline V-gene usage can be inferred from cryoEM reconstructions of antigen-antibody complexes to guide de novo antibody sequencing of complex mixtures by mass spectrometry.

Kinetic measurements of kinesin-1's front and rear heads reveal how different neck linker orientation regulate their activity, enabling the motor protein to move in a coordinated manner along microtubules.

The conformational dynamics and landscapes of the related chemokine receptors CXCR4 and ACKR3, revealed by single-molecule analysis, provide mechanistic insights into differences in constitutive activity, ligand promiscuity, and effector coupling.