For two molecules on blind date, new method predicts potential for attraction or repulsion
Krzysztof Szalewicz, professor of physics and astronomy at the University of Delaware, and Rafal Podeszwa of the University of Silesia Institute of Chemistry in Poland have developed and validated a more accurate method for predicting the interaction energy of large molecules, such as biomolecules used to develop new drugs.
The research is reported as a communication in the April 27 issue of the Journal of Chemical Physics, which is the most highly cited journal in atomic, molecular and chemical physics according to Thomson Reuters. The journal is published by the American Institute of Physics. Despite appearing at the end of April, the paper was on the list of the 20 most-read articles in JCP for that month. (more…)