1. Benchmark and performance of long-range corrected time-dependent density functional tight binding (LC-TD-DFTB) on rhodopsins and light-harvesting complexes. Issue 19 (17th January 2020) Authors: Bold, Beatrix M.; Sokolov, Monja; Maity, Sayan; Wanko, Marius; Dohmen, Philipp M.; Kranz, Julian J.; Kleinekathöfer, Ulrich; Höfener, Sebastian; Elstner, Marcus Journal: Physical chemistry chemical physics Issue: Volume 22:Issue 19(2020) Page Start: 10500 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Computational Study of Correlated Domain Motions in the AcrB Efflux Transporter. (5th January 2015) Authors: Schulz, Robert; Vargiu, Attilio V.; Ruggerone, Paolo; Kleinekathöfer, Ulrich Other Names: Carnevale Vincenzo Academic Editor. Journal: BioMed research international Issue: Volume 2015(2015) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Dynamic interaction of fluoroquinolones with magnesium ions monitored using bacterial outer membrane nanopores. Issue 38 (8th September 2020) Authors: Wang, Jiajun; Prajapati, Jigneshkumar Dahyabhai; Kleinekathöfer, Ulrich; Winterhalter, Mathias Journal: Chemical science Issue: Volume 11:Issue 38(2020) Page Start: 10344 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Large‐Peptide Permeation Through a Membrane Channel: Understanding Protamine Translocation Through CymA from Klebsiella Oxytoca. Issue 15 (3rd March 2021) Authors: Pangeni, Sushil; Prajapati, Jigneshkumar Dahyabhai; Bafna, Jayesh; Nilam, Mohamed; Nau, Werner M.; Kleinekathöfer, Ulrich; Winterhalter, Mathias Journal: Angewandte Chemie international edition Issue: Volume 60:Issue 15(2021) Page Start: 8089 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Modeling charge transport in DNA using multi‐scale methods. Issue 11 (9th August 2013) Authors: Kubař, Tomáš; Gutiérrez, Rafael; Kleinekathöfer, Ulrich; Cuniberti, Gianaurelio; Elstner, Marcus; Frauenheim, Thomas; Niehaus, Thomas; Repp, Jascha; Richter, Klaus; Weber, Heiko Journal: Physica status solidi Issue: Volume 250:Issue 11(2013:Nov.) Page Start: 2277 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Multiscale QM/MM molecular dynamics simulations of the trimeric major light-harvesting complex II. Issue 12 (23rd March 2021) Authors: Maity, Sayan; Daskalakis, Vangelis; Elstner, Marcus; Kleinekathöfer, Ulrich Journal: Physical chemistry chemical physics Issue: Volume 23:Issue 12(2021) Page Start: 7407 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Permeation eines 5.1‐kDa‐Peptides durch einen Proteinkanal: Molekulare Basis der Translokation von Protamin durch CymA aus Klebsiella Oxytoca. (3rd March 2021) Authors: Pangeni, Sushil; Prajapati, Jigneshkumar Dahyabhai; Bafna, Jayesh; Nilam, Mohamed; Nau, Werner M.; Kleinekathöfer, Ulrich; Winterhalter, Mathias Journal: Angewandte Chemie Issue: Volume 133:Number 15(2021) Page Start: 8170 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Structural basis for maintenance of bacterial outer membrane lipid asymmetry. (December 2017) Authors: Abellón-Ruiz, Javier; Kaptan, Shreyas; Baslé, Arnaud; Claudi, Beatrice; Bumann, Dirk; Kleinekathöfer, Ulrich; van den Berg, Bert Journal: Nature microbiology Issue: Volume 2:Number 12(2017) Page Start: 1616 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Theoretical analysis of ion conductance and gating transitions in the OpdK (OccK1) channel. Issue 14 (17th March 2015) Authors: Pothula, Karunakar Reddy; Kleinekathöfer, Ulrich Journal: Analyst Issue: Volume 140:Issue 14(2015) Page Start: 4855 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Transverse electronic transport through nucleobase-pairs of a DNA wire. (June 2022) Authors: Shah, Esha V.; Kleinekathöfer, Ulrich; Frauenheim, Thomas; Roy, Debesh R. Journal: Materials today chemistry Issue: Volume 24(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗