Finding a hit for a new drug target can be one of the biggest…
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Lipophilicity represents arguably the biggest risk factor in small molecule drug design and as…
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In contrast to molecular weight and H-bond acceptor count, H-bond donor count and lipophilicity…
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When analyzing a drug binding pocket it is important to assess which amino acid…
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What to do with waters in the binding pocket of proteins is a conundrum…
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Medicinal chemists spend a lot of time thinking about how to make protein-ligand interactions…
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Non-covalent molecular interactions in an aqueous environment and the resulting Gibbs free energy of…
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William Ripka, one of the pioneers of structure-based drug design, highlighted the conceptual simplicity…
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“How long does it take to discovery a drug?” is a questions I am…
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In preparing my first medicinal chemistry course at the University of Vienna I wanted…
