1. A Computational Study of Vicinal Fluorination in 2, 3‐Difluorobutane: Implications for Conformational Control in Alkane Chains. Issue 4 (21st November 2014) Authors: Fox, Stephen J.; Gourdain, Stephanie; Coulthurst, Anton; Fox, Clare; Kuprov, Ilya; Essex, Jonathan W.; Skylaris, Chris‐Kriton; Linclau, Bruno Journal: Chemistry Issue: Volume 21:Issue 4(2015) Page Start: 1682 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site. Issue 12 (21st October 2014) Authors: Fox, Stephen J.; Dziedzic, Jacek; Fox, Thomas; Tautermann, Christofer S.; Skylaris, Chris‐Kriton Journal: Proteins Issue: Volume 82:Issue 12(2014) Page Start: 3335 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Large scale ab initio modeling of structurally uncharacterized antimicrobial peptides reveals known and novel folds. Issue 5 (18th February 2018) Authors: Kozic, Mara; Fox, Stephen J.; Thomas, Jens M.; Verma, Chandra S.; Rigden, Daniel J. Journal: Proteins Issue: Volume 86:Issue 5(2018) Page Start: 548 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Large‐scale DFT calculations in implicit solvent—A case study on the T4 lysozyme L99A/M102Q protein1. Issue 6 (28th March 2012) Authors: Dziedzic, Jacek; Fox, Stephen J.; Fox, Thomas; Tautermann, Christofer S.; Skylaris, Chris‐Kriton; Gidopoulos, Nikitas I.; Theophilou, Andreas K. Journal: International journal of quantum chemistry Issue: Volume 113:Issue 6(2013:Mar. 15) Page Start: 771 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗