Category Archives: Articles

Our small contribution to recent threat: Molecular Dynamics Simulations Indicate the COVID-19 Mpro Is Not a Viable Target for Small-Molecule Inhibitors Design

New publication from our group: Applications of water molecules for analysis of macromolecule properties. Open access.

Publication describing new version of the AQUA-DUCT tool is available in Advance article section in “Bioinformatics”. AQUA-DUCT 1.0: structural and functional analysis of macromolecules from an intramolecular voids perspective Open access.

Our article Modulating D-amino acid oxidase (DAAO) substrate specificity through facilitated solvent access is among the top 10% most cited PLOS ONE papers published in 2018.

Our last publication has been selected as a cover story in Biomolecules recent volume.