Sequestration of Plasmodium falciparum ( P. )-infected erythrocytes to host endothelium through the parasite-derived erythrocyte membrane protein 1 Pf EMP1) adhesion proteins is central development malaria pathogenesis. EMP1 have diversified and expanded encompass many sequence variants, conferring each parasite a similar array human endothelial receptor-binding phenotypes. Here, we analyzed RN...

Aim. The idea of the study was to compare and generalize RCSB Protein Data Bank ChEMBL data in order establish structural biological relationship experimentaly proved effectors FtsZ with binding sites. Methods. Literature database search. Comparison protein ligand structures. structure modeling, MD, superimposition, etc. Results. experimental protein-ligand complexes structures bacterial were r...

We apply novel atomistic simulations based on potential energy surface exploration to investigate the constant force-induced unfolding of ubiquitin. At the experimentally-studied force clamping level of 100 pN, we find a new unfolding mechanism starting with the detachment between β5 and β3 involving the binding site of ubiquitin, the Ile44 residue. This new unfolding pathway leads to the disco...