One of the most important stages in the drug discovery process is the ability to determine binding sites on proteins for potential ligands.
When attempting to find the correct pose of a protein-ligand complex, there are an infinite number of possible solutions. The position, geometry and conformation of a ligand are all continuous variables - this leads to the “Docking Problem”. To explore all possible docking modes, an enormous amount of calculation must be done - the complexity, of this task may be reduced by adopting a multi-scale approach. In this approach the accuracy is not sacrificed.
There are currently several docking algorithms, which address the “Docking Problem”, two of which are:
Dr Anthony Lewis | alfa
Magic number colloidal clusters
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A widely used diabetes medication combined with an antihypertensive drug specifically inhibits tumor growth – this was discovered by researchers from the University of Basel’s Biozentrum two years ago. In a follow-up study, recently published in “Cell Reports”, the scientists report that this drug cocktail induces cancer cell death by switching off their energy supply.
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A research team from the University of Zurich has developed a new drone that can retract its propeller arms in flight and make itself small to fit through narrow gaps and holes. This is particularly useful when searching for victims of natural disasters.
Inspecting a damaged building after an earthquake or during a fire is exactly the kind of job that human rescuers would like drones to do for them. A flying...
Over the last decade, there has been much excitement about the discovery, recognised by the Nobel Prize in Physics only two years ago, that there are two types...
What if a sensor sensing a thing could be part of the thing itself? Rice University engineers believe they have a two-dimensional solution to do just that.
Rice engineers led by materials scientists Pulickel Ajayan and Jun Lou have developed a method to make atom-flat sensors that seamlessly integrate with devices...
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