1. Molecular‐dynamics simulation methods for macromolecular crystallography. Issue 1 (30th December 2022) Authors: Wych, David C.; Aoto, Phillip C.; Vu, Lily; Wolff, Alexander M.; Mobley, David L.; Fraser, James S.; Taylor, Susan S.; Wall, Michael E. Journal: Acta crystallographica Issue: Volume 79:Issue 1(2023) Page Start: 50 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Multiple binding modes of ibuprofen in human serum albumin identified by absolute binding free energy calculations. Issue 47 (17th November 2016) Authors: Evoli, Stefania; Mobley, David L.; Guzzi, Rita; Rizzuti, Bruno Journal: Physical chemistry chemical physics Issue: Volume 18:Issue 47(2016) Page Start: 32358 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Prioritizing Small Sets of Molecules for Synthesis through in‐silico Tools: A Comparison of Common Ranking Methods. (29th November 2022) Authors: Breznik, Marko; Ge, Yunhui; Bluck, Joseph P.; Briem, Hans; Hahn, David F.; Christ, Clara D.; Mortier, Jérémie; Mobley, David L.; Meier, Katharina Journal: ChemMedChem Issue: Volume 18:Number 1(2023) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Temperature artifacts in protein structures bias ligand-binding predictions. Issue 34 (18th August 2021) Authors: Bradford, Shanshan Y. C.; El Khoury, Léa; Ge, Yunhui; Osato, Meghan; Mobley, David L.; Fischer, Marcus Journal: Chemical science Issue: Volume 12:Issue 34(2021) Page Start: 11275 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗