Advancing the description of 'mysterious' water to improve drug design
Monday, December 17, 2018 - 12:41
in Biology & Nature
Interactions with water dominate how drug molecules bind to targets, but it's tricky to model these interactions, limiting the accuracy of drug design. In a recent paper in The Journal of Chemical Physics, from AIP Publishing, William A. Goddard III and Saber Naserifar from the California Institute of Technology describe their novel approach to building a new description of water (known as a force field) and demonstrate its accuracy.