The Curious Wavefunction

The Curious Wavefunction

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May 2025

The age of the undruggable is over
The age of the unassayable is here
 • 
Ash Jogalekar
Simple, novel chemistry from generated databases
There's still room for mining "white space" for compact scaffolds
 • 
Ash Jogalekar
On the failure of rescoring in virtual screening
Why automated virtual screening and docking remains hard and why expertise remains essential
 • 
Ash Jogalekar
1
What not to make
Negative suggestions are as valuable as positive ones
 • 
Ash Jogalekar

April 2025

The culture of computational chemistry
Why it's about integration, integration, integration
 • 
Ash Jogalekar
In praise of weakness
It's not about strength but about adaptability
 • 
Ash Jogalekar
1
Macrocycles measured
The old melds with the new
 • 
Ash Jogalekar
Knowns and unknowns in preclinical drug discovery
What we know for sure, that just ain't so
 • 
Ash Jogalekar
On the limitations of chemical intuition in drug design
Simple tricks don't always work, but can suggest experiments
 • 
Ash Jogalekar
Holy Grails of computational organic and biochemistry and drug discovery
We have our work cut out
 • 
Ash Jogalekar
© 2025 Ash Jogalekar
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