TL;DR
The C SV /RIN methodology is described and its practical usage is illustrated on representative complexes.
The fragment molecular orbital (FMO) quantum mechanics method offers a comprehensive and computationally inexpensive means of identifying the strength and the chemical nature of the molecular interactions taking place at the protein-protein interface of large biomolecular systems.
A global metabolite-mediated architecture with the capacity to coordinate proteins across otherwise distinct cellular systems is revealed and experimentally established metabolite-dependent complexes validate the local mechanism independently of LIGMAP.
Detailed protocols for using Protein Data Bank in Europe (PDBe) PISA API, a new Application Programming Interface (API) for enhanced analysis of protein assembly interfaces, using an updated version of PISA software are presented.
Accurate identification of protein-protein interactions (PPIs) is fundamental for understanding cellular mechanisms and facilitating drug discovery. Although high-throughput experimental methods have expanded the known interactome, they remain resourceintensive and prone to noise. Consequently, computational approaches...
This article systematically reviews the technical architecture and core algorithm modules of AlphaFold3, and looks forward to the application progress in the construction of protein-ligand complex structures, including the improvement in the confidence of pocket-type ligands paired with G protein-coupled receptors comp...
LoGoPPI is presented, which infers PPIs from sequence by combining bi-encoder global protein representation with local residue-level late interaction, and provides a scalable framework for comparative and functional analysis of protein networks across diverse taxa.
We use cookies to run the site and, with your consent, for analytics and to show ads. See our Cookie Policy.
