Therefore, there is the prospect of developing structure-based knowledge of those proteins that should be avoided in drug discovery programs, to overcome complicating factors such as drug ...

To be useful for drug discovery, a 3-D protein structure must be in sharp focus ... computing allow researchers to do a broad sweep of chemical space that was once impossible, Abel says.

Scientists have long considered ketones (a fundamental chemical class) and esters (molecules formed when an acid reacts with an alcohol) to be locked treasure chests of possibilities. Ubiquitous as ...