3

Moldrug algorithm for an automated ligand binding site exploration by 3D aware molecular enumerations
We present Moldrug, a computational tool for accelerating the hit-to-lead phase in structure-based drug design. Moldrug explores the …
Alejandro Martínez León, Benjamin Ries, Jochen Hub, Aniket Magarkar
PDF DOI Preprint SI
Moldrug algorithm for an automated ligand binding site exploration by 3D aware molecular enumerations
Pore formation in complex biological membranes: torn between evolutionary needs
The primary function of biological membranes is to enable compartmentalization among cells and organelles. Loss of integrity by the …
Leonhard Starke, Christoph Allolio, Jochen Hub
PDF DOI
Pore formation in complex biological membranes: torn between evolutionary needs
Viral fusion proteins of classes II and III but not of class I sense the lipid composition of host membranes
Viral infection requires stable binding of viral fusion proteins to host membranes, which contain hundreds of lipid species. How …
PDF DOI
Viral fusion proteins of classes II and III but not of class I sense the lipid composition of host membranes