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Target-directed cancer: protein-ligand interactions  

Drug Target Review

For example, in the screening stage of a project we are trying to find initial starting points for optimisation by our medicinal and computational chemistry colleagues. 2013) 56, 2059-2073. With all these diverse methods we characterise protein-ligand interactions in many ways. Acta Cryst.

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The Book of Nimbus

LifeSciVC

The premise at the time was that putting computational chemistry in the primary position for new molecule ideation would upend the drug discovery paradigm. set up a “virtual project team,” leverage Schrödinger scientists to lead computational chemistry, and do all the wet work at CROs. It did just that.