1. Highly drug‐resistant HIV‐1 protease reveals decreased intra‐subunit interactions due to clusters of mutations. (23rd January 2020) Authors: Kneller, Daniel W.; Agniswamy, Johnson; Harrison, Robert W.; Weber, Irene T. Journal: FEBS journal Issue: Volume 287:Number 15(2020) Page Start: 3235 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease. Issue 4 (10th December 2020) Authors: Pavlova, Anna; Lynch, Diane L.; Daidone, Isabella; Zanetti-Polzi, Laura; Smith, Micholas Dean; Chipot, Chris; Kneller, Daniel W.; Kovalevsky, Andrey; Coates, Leighton; Golosov, Andrei A.; Dickson, Callum J.; Velez-Vega, Camilo; Duca, José S.; Vermaas, Josh V.; Pang, Yui Tik; Acharya, Atanu; Parks... Journal: Chemical science Issue: Volume 12:Issue 4(2021) Page Start: 1513 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Joint neutron/molecular dynamics vibrational spectroscopy reveals softening of HIV-1 protease upon binding of a tight inhibitor. Issue 6 (28th January 2022) Authors: Kneller, Daniel W.; Gerlits, Oksana; Daemen, Luke L.; Pavlova, Anna; Gumbart, James C.; Cheng, Yongqiang; Kovalevsky, Andrey Journal: Physical chemistry chemical physics Issue: Volume 24:Issue 6(2022) Page Start: 3586 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Michaelis-like complex of SARS-CoV-2 main protease visualized by room-temperature X-ray crystallography. (2021) Authors: Kneller, Daniel W.; Zhang, Qiu; Coates, Leighton; Louis, John M.; Kovalevsky, Andrey Journal: IUCrJ Issue: Volume 8:Part 6(2021) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Potent HIV‐1 Protease Inhibitors Containing Carboxylic and Boronic Acids: Effect on Enzyme Inhibition and Antiviral Activity and Protein‐Ligand X‐ray Structural Studies. (4th October 2019) Authors: Ghosh, Arun K.; Xia, Zilei; Kovela, Satish; Robinson, William L.; Johnson, Megan E.; Kneller, Daniel W.; Wang, Yuan‐Fang; Aoki, Manabu; Takamatsu, Yuki; Weber, Irene T.; Mitsuya, Hiroaki Journal: ChemMedChem Issue: Volume 14:Number 21(2019) Page Start: 1863 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL Mpro: insights into enzyme mechanism and drug design. (2020) Authors: Kneller, Daniel W.; Phillips, Gwyndalyn; O'Neill, Hugh M.; Tan, Kemin; Joachimiak, Andrzej; Coatesa, Leighton; Kovalevsky, Andrey Journal: IUCrJ Issue: Volume 7:Part 6(2020) Page Start: 1028 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Room‐temperature neutron and X‐ray data collection of 3CL Mpro from SARS‐CoV‐2. Issue 10 (2nd October 2020) Authors: Kneller, Daniel W.; Phillips, Gwyndalyn; Kovalevsky, Andrey; Coates, Leighton Journal: Acta crystallographica Issue: Volume 76:Issue 10(2020:Oct.) Page Start: 483 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Unmasking the Conformational Stability and Inhibitor Binding to SARS-CoV-2 Main Protease Active Site Mutants and Miniprecursor. Issue 24 (30th December 2022) Authors: Kovalevsky, Andrey; Coates, Leighton; Kneller, Daniel W.; Ghirlando, Rodolfo; Aniana, Annie; Nashed, Nashaat T.; Louis, John M. Journal: Journal of molecular biology Issue: Volume 434:Issue 24(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗