Scientists at St. Jude Children's Research Hospital have created a database that provides updated predicted structures on a ...

Peptide docking can be perceived as a subproblem of protein–protein docking. However, due to the short length and flexible nature of peptides, many do not adopt one defined conformation prior to ...

SDSC provides high-performance computing and data infrastructure that support researchers doing molecular modeling and ...

State-of-the-art AI programs can support the development of drugs by predicting how proteins interact with small molecules.

New research from the University of Wisconsin–Madison reveals that dysfunction in a protein essential to maintaining ...

(a–c) The 3D visualization of molecular docking modes of HXTL’s top four active components (luteolin, beta-sitosterol, stigmasterol, quercetin) and top three HXTL-PMOP targets (IL6, AKT1, PI3K). (d) ...