How can I predict binding affinity without a target protein structure?
Why traditional ligand-based QSAR methods have fallen short You might be sceptical about ligand-based QSAR approaches; many researchers are. We discussed why there has…
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Why traditional ligand-based QSAR methods have fallen short You might be sceptical about ligand-based QSAR approaches; many researchers are. We discussed why there has…
From X-ray refinement to lead optimisation Conventional ligand-fitting and refinement methods in X-ray electron density maps often yield models with…
The collaboration challenge: Where generic tools fall short Several collaboration platforms have been designed to support molecule design and optimisation.…