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 ...

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 ...

"Funnel" attracts bonding partners to biomolecule

New experimental technologies, such as terahertz absorption spectroscopy, pave the way for studies of the dynamics of water molecules surrounding biomolecules. Using this method, the researchers proved some time ago that ...

How knots can swap positions on a DNA strand

Physicists of Johannes Gutenberg University Mainz (JGU) and the Graduate School of Excellence "Materials Science in Mainz" (MAINZ) have been able with the aid of computer simulations to confirm and explain a mechanism by ...

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