Professor Gerhard Wolber leads the Molecular Drug Design research group at the Institute of Pharmacy , Freie Universitaet Berlin. His work focuses on computational approaches to drug discovery, with expertise in G-protein coupled receptors (GPCRs) , cytochrome P450 enzymes , Toll-like receptors , and viral protease inhibitors . He supervises a team of 13 PhD candidates 3 researchers 2 Master's students engaged in projects ranging from calcium channel blockers to CYP enzyme modulators for cancer therapy. Recent publications highlight his lab's contributions to pan-coronavirus drug discovery, TLR8 antagonism, and calcium channel inhibition. The team employs advanced methodologies including Molecular dynamics simulations Fragment-based de novo design Bayesian neural networks DFT calculations 3D pharmacophore modeling to bridge computational predictions with experimental validation. Notable projects include Virtual screening for TREM2-targeted glioblastoma therapeutics Allosteric communication path analysis via MDPath Immune checkpoint inhibitors for cancer immunotherapy Biased GPCR ligand development demonstrating a multidisciplinary approach to contemporary drug design challenges.








