1. A critical overview of computational approaches employed for COVID-19 drug discovery. (2nd July 2021) Authors: Muratov, Eugene N.; Amaro, Rommie; Andrade, Carolina H.; Brown, Nathan; Ekins, Sean; Fourches, Denis; Isayev, Olexandr; Kozakov, Dima; Medina-Franco, José L.; Merz, Kenneth M.; Oprea, Tudor I.; Poroikov, Vladimir; Schneider, Gisbert; Todd, Matthew H.; Varnek, Alexandre; Winkler, David A.; Zakharo... Journal: Chemical Society reviews Issue: Volume 50:Number 16(2021) Page Start: 9121 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Accurate macromolecular crystallographic refinement: incorporation of the linear scaling, semiempirical quantum‐mechanics program DivCon into the PHENIX refinement package. (1st May 2014) Authors: Borbulevych, Oleg Y.; Plumley, Joshua A.; Martin, Roger I.; Merz, Kenneth M.; Westerhoff, Lance M. Journal: Acta crystallographica Issue: Volume 70:Part 5(2014:May) Page Start: 1233 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. 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) ↗
4. Frontispiece: Quantum Crystallography: Current Developments and Future Perspectives. Issue 43 (1st August 2018) Authors: Genoni, Alessandro; Bučinský, Lukas; Claiser, Nicolas; Contreras‐García, Julia; Dittrich, Birger; Dominiak, Paulina M.; Espinosa, Enrique; Gatti, Carlo; Giannozzi, Paolo; Gillet, Jean‐Michel; Jayatilaka, Dylan; Macchi, Piero; Madsen, Anders Ø.; Massa, Lou; Matta, Chérif F.; Merz, Kenneth M.; Naka... Journal: Chemistry Issue: Volume 24:Issue 43(2018) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Incorporation of side chain flexibility into protein binding pockets using MTflex. Issue 20 (15th October 2016) Authors: Bansal, Nupur; Zheng, Zheng; Merz, Kenneth M. Journal: Bioorganic & medicinal chemistry Issue: Volume 24:Issue 20(2016) Page Start: 4978 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Quantum Crystallography: Current Developments and Future Perspectives. Issue 43 (13th July 2018) Authors: Genoni, Alessandro; Bučinský, Lukas; Claiser, Nicolas; Contreras‐García, Julia; Dittrich, Birger; Dominiak, Paulina M.; Espinosa, Enrique; Gatti, Carlo; Giannozzi, Paolo; Gillet, Jean‐Michel; Jayatilaka, Dylan; Macchi, Piero; Madsen, Anders Ø.; Massa, Lou; Matta, Chérif F.; Merz, Kenneth M.; Naka... Journal: Chemistry Issue: Volume 24:Issue 43(2018) Page Start: 10881 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Refinement of pairwise potentials via logistic regression to score protein‐protein interactions. Issue 12 (30th July 2020) Authors: Tanemura, Kiyoto A.; Pei, Jun; Merz, Kenneth M. Journal: Proteins Issue: Volume 88:Issue 12(2020) Page Start: 1559 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗