Spotlights on Recent JACS Publications

摘要

E-barriks Kupce and Ray Freeman have developed a convenient approach that highlights changes in spectra caused by molecular interactions or external influences such as temperature, solvent, and pressure (DOI: 10.1021/ja310107e). The display of spectra in this new format can help drug developers design medications that bind drug targets with high affinity under the relevant biological conditions. However, current methods for analyzing perturbations of spectroscopic data are tedious, particularly in crowded spectra.