Attraction or repulsion? New method predicts interaction energy of large molecules - 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. Reference: R. Podeszwa and K. Szalewicz. Communication: Density functional theory overcomes the failure of predicting intermolecular interaction energies, Journal of Chemical Physics, 2012; 136 (16): 161102 DOI: 10.1063/1.4707166
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ChemSpy.com is owned and operated by science journalist David Bradley. Additional chemistry news updates are posted by chemist Robert Slinn CChem MRSC MPhil with the tag: Slinn Pickings.




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