1. A comparison of pathway‐independent and pathway‐dependent methods in the calculation of conformational free enthalpy differences. (29th May 2015) Authors: Lin, Zhixiong; van Gunsteren, Wilfred F. Journal: Protein science Issue: Volume 25:Number 1(2016:Jan.) Page Start: 184 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. A method to apply bond‐angle constraints in molecular dynamics simulations. Issue 6 (22nd December 2020) Authors: Pechlaner, Maria; Dorta, Andreas P.; Lin, Zhixiong; Rusu, Victor H.; van Gunsteren, Wilfred F. Journal: Journal of computational chemistry Issue: Volume 42:Issue 6(2021) Page Start: 418 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. A method to apply bond‐angle constraints in molecular dynamics simulations. Issue 6 (22nd December 2020) Authors: Pechlaner, Maria; Dorta, Andreas P.; Lin, Zhixiong; Rusu, Victor H.; van Gunsteren, Wilfred F. Journal: Journal of computational chemistry Issue: Volume 42:Issue 6(2021) Page Start: 418 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. A molecular dynamics simulation investigation of the relative stability of the cyclic peptide octreotide and its deprotonated and its (CF3)-Trp substituted analogs in different solvents. Issue 20 (15th October 2016) Authors: Smith, Lorna J.; Rought Whitta, Georgia; Dolenc, Jožica; Wang, Dongqi; van Gunsteren, Wilfred F. Journal: Bioorganic & medicinal chemistry Issue: Volume 24:Issue 20(2016) Page Start: 4936 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. A polarizable empirical force field for molecular dynamics simulation of liquid hydrocarbons. Issue 10 (19th February 2014) Authors: Szklarczyk, Oliwia M.; Bachmann, Stephan J.; van Gunsteren, Wilfred F. Journal: Journal of computational chemistry Issue: Volume 35:Issue 10(2014) Page Start: 789 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Exploration of swapping enzymatic function between two proteins: A simulation study of chorismate mutase and isochorismate pyruvate lyase. (25th May 2013) Authors: Choutko, Alexandra; Eichenberger, Andreas P.; van Gunsteren, Wilfred F.; Dolenc, Jožica Journal: Protein science Issue: Volume 22:Number 6(2013:Jun.) Page Start: 809 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Going for a PhD: Joys and Pitfalls. Issue 10 (25th August 2016) Authors: van Gunsteren, Wilfred F. Journal: Helvetica chimica acta Issue: Volume 99:Issue 10(2016:Oct.) Page Start: 755 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. GROMOS polarisable model for acetone. (18th March 2016) Authors: Rusu, Victor H.; Bachmann, Stephan; van Gunsteren, Wilfred F. Journal: Molecular physics Issue: Volume 114:Number 6(2016) Page Start: 845 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Influence of variation of a side chain on the folding equilibrium of a β‐peptide: Limitations of one‐step perturbation. Issue 22 (24th May 2013) Authors: Lin, Zhixiong; van Gunsteren, Wilfred F. Journal: Journal of computational chemistry Issue: Volume 34:Issue 22(2013) Page Start: 1899 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Investigation of the structural preference and flexibility of the loop residues in amyloid fibrils of the HET-s prion. Issue 8 (25th January 2016) Authors: Dolenc, Jožica; Meier, Beat H.; Rusu, Victor H.; van Gunsteren, Wilfred F. Journal: Physical chemistry chemical physics Issue: Volume 18:Issue 8(2016) Page Start: 5860 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗