Gerhard Wolber

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.