1. Computer-aided drug design, quantum-mechanical methods for biological problems. (August 2022) Authors: Manathunga, Madushanka; Götz, Andreas W.; Merz, Kenneth M. Journal: Current opinion in structural biology Issue: Volume 75(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Torsionally broken symmetry assists infrared excitation of biomimetic charge-coupled nuclear motions in the electronic ground state. Issue 32 (4th August 2022) Authors: Chatterjee, Gourab; Jha, Ajay; Blanco-Gonzalez, Alejandro; Tiwari, Vandana; Manathunga, Madushanka; Duan, Hong-Guang; Tellkamp, Friedjof; Prokhorenko, Valentyn I.; Ferré, Nicolas; Dasgupta, Jyotishman; Olivucci, Massimo; Miller, R. J. Dwayne Journal: Chemical science Issue: Volume 13:Issue 32(2022) Page Start: 9392 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗