1. Competition between Ag+ and Ni2+ in nickel enzymes: Implications for the Ag+ antibacterial activity. (December 2022) Authors: Dobrev, Stefan; Kircheva, Nikoleta; Nikolova, Valya; Angelova, Silvia; Dudev, Todor Journal: Computational biology and chemistry Issue: Volume 101(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Competition between Li+ and Na+ in sodium transporters and receptors: Which Na+-Binding sites are "therapeutic" Li+ targets?. Issue 17 (9th April 2018) Authors: Dudev, Todor; Mazmanian, Karine; Lim, Carmay Journal: Chemical science Issue: Volume 9:Issue 17(2018) Page Start: 4093 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Complexation of biologically essential (mono- and divalent) metal cations to cucurbiturils: a DFT/SMD evaluation of the key factors governing the host–guest recognition. Issue 47 (27th July 2020) Authors: Kircheva, Nikoleta; Dobrev, Stefan; Dasheva, Lyubima; Koleva, Iskra; Nikolova, Valya; Angelova, Silvia; Dudev, Todor Journal: RSC advances Issue: Volume 10:Issue 47(2020) Page Start: 28139 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Complexation of trivalent metal cations (Al3+, Ga3+, In3+, La3+, Lu3+) to cucurbiturils: a DFT/SMD evaluation of the key factors governing the host–guest recognition. Issue 10 (1st March 2022) Authors: Koleva, Iskra Z.; Dobrev, Stefan; Kircheva, Nikoleta; Dasheva, Lyubima; Nikolova, Valya; Angelova, Silvia; Dudev, Todor Journal: Physical chemistry chemical physics Issue: Volume 24:Issue 10(2022) Page Start: 6274 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Electric field influence on the helical structure of peptides: insights from DFT/PCM computations. Issue 29 (12th July 2019) Authors: Ilieva, Sonia; Cheshmedzhieva, Diana; Dudev, Todor Journal: Physical chemistry chemical physics Issue: Volume 21:Issue 29(2019) Page Start: 16198 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Factors controlling the selectivity for Na+ over Mg2+ in sodium transporters and enzymes. Issue 25 (14th June 2016) Authors: Dudev, Todor; Mazmanian, Karine; Lim, Carmay Journal: Physical chemistry chemical physics Issue: Volume 18:Issue 25(2016) Page Start: 16986 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Factors governing the affinity and selectivity of histone deacetylase inhibitors for the HDAC8 enzyme active site: Implications for anticancer therapy. (19th July 2021) Authors: Toshev, Nikolay; Cheshmedzhieva, Diana; Dudev, Todor Journal: Journal of physical organic chemistry Issue: Volume 34:Number 12(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Factors governing the competition between group IA and IB cations for monensin A: a DFT/PCM study. Issue 10 (4th February 2020) Authors: Dudev, Todor; Cheshmedzhieva, Diana; Dimitrova, Radoslava; Dorkov, Peter; Pantcheva, Ivayla Journal: RSC advances Issue: Volume 10:Issue 10(2020) Page Start: 5734 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. How an electric field can modulate the metal ion selectivity of protein binding sites: insights from DFT/PCM calculations. Issue 38 (21st September 2018) Authors: Dudev, Todor; Ilieva, Sonia; Doudeva, Lyudmila Journal: Physical chemistry chemical physics Issue: Volume 20:Issue 38(2018) Page Start: 24633 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. How mechanical forces can modulate the metal affinity and selectivity of metal binding sites in proteins. Issue 3 (7th January 2020) Authors: Dudev, Todor; Frutos, Luis Manuel; Castaño, Obis Journal: Metallomics Issue: Volume 12:Issue 3(2020) Page Start: 363 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗