Nature

A formally exact method for high-throughput absolute binding-free-energy calculations

Here we introduce a high-throughput, formally exact method for absolute binding-free-energy calculations that enhances computational efficiency and accuracy. At the core of this method is a ...
Nature

A highly accurate metadynamics-based Dissociation Free Energy method to calculate protein–protein and protein–ligand binding potencies

A general method able to accurately calculate binding affinities of protein–protein complexes (PPC) and protein–ligand complexes (PLC) would be highly empowering for rational design of biologic and ...
Phys.org

Proteomics method identifies ligand-binding proteins and binding sites in complex systems

In a study published in Nature Methods, a research group developed a highly sensitive proteomics method called peptide-centric local stability assay (PELSA), which enables the simultaneous ...
EurekAlert!

New proteomics method enables sensitive identification of ligand-binding proteins and their binding sites in complex system

In a study published in Nature Methods, a research group led by Prof. YE Mingliang from the Dalian Institute of Chemical Physics of the Chinese Academy of Sciences (CAS), collaborating with Prof. LUO ...