Molecular dynamics of outer membrane-embedded polysaccharide secretion porins reveals closed resting-state surface gates targetable by virtual fragment screening for drug hotspot identification
Tanos C. C. França, Fares Saïdi, Alain Ajamian, Salim T. Islam, Steven R. LaPlante
The paper uses molecular dynamics to study porin structures and identifies drug targets for inhibiting polysaccharide secretion.
ACS Omega · Mar 4, 2024Peer-reviewedMolecular Biology