New computational method for drug discovery

HITS researchers developed tauRAMD, a tool to predict drug-target residence times from short simulations. The method is illustrated on the cover page of July 2018 issue of the Journal of Chemical Theory and Computation, software ...

Supercoil me! The art of knotted DNA maintenance

Even living cells have their own tangled problems to solve. They involve knots that arise accidentally in DNA and that can comprise its functionality. Researchers now suggest that the DNA propensity to be supercoiled, just ...

Researchers discover non-canonical ion channel activation pathway

The passage of ions through the cell membrane is controlled by ion channels, which are protein complexes that regulate vital processes, such as the heartbeat, and are a target of drug development. Now, a study at the University ...

Partial mechanical unfolding may regulate protein function

A study carried out as a collaborative approach between University of Tampere, Finland, and Imperial College London has shown that mechanically regulated proteins talin and α-catenin have stable intermediates during mechanical ...

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