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Buchkapitel (7)
161.
Buchkapitel
Accurate calculation of free energy changes upon amino acid mutation. In: Computational Methods in Protein Evolution, S. 19 - 47 (Hg. Sikosek, T.). Springer Nature, New York (2019)
162.
Buchkapitel
Protein dynamics: From structure to function. In: From protein structure to function with bioinformatics, S. 393 - 425 (Hg. Rigden, D. J.). Springer, Dordrecht (2017)
163.
Buchkapitel
Calculation of binding free energies. In: Molecular Modeling of Proteins, S. 173 - 209 (Hg. Kukol, A.). Humana Pr.; Springer, New York, N.Y. (2015)
164.
Buchkapitel
Dynamics and energetics of permeation through aquaporins. What do we learn from molecular dynamics simulations? In: Aquaporins, S. 57 - 76 (Hg. Beitz, E.). Springer, Berlin (2009)
165.
Buchkapitel
Protein dynamics: From structure to function. In: From Protein Structure to Function with Bioinformatics, S. 217 - 249 (Hg. Rigden, D.J.). Springer, Dordrecht (2009)
166.
Buchkapitel
Normal modes and essential dynamics. In: Molecular modeling of proteins, S. 89 - 106 (Hg. Kukol, A.). Humana Pr., Totowa, N. Y. (2008)
167.
Buchkapitel
Improved GROMACS scaling on ethernet switched clusters. In: Recent advances in parallel virtual machine and message passing interface. 13th European PVM/MPI User`s Group meeting, Bonn, Germany, September 17-20, 2006, S. 404 - 405 (Hg. Mohr, B.; Larsson, T. J.; Worringen, J.; Dongarra, J.). Springer, Berlin (2006)
Konferenzbeitrag (39)
168.
Konferenzbeitrag
227 (719), B 06-7, (2019)
The 'cap' structure provides an essential structural requirement for the stabilization of the K plus -flux gated open state of K2P channels. 98th Meeting of the German Physiological Society, Ulm, 30. September 2019 - 02. Oktober 2019. Acta Physiologica 169.
Konferenzbeitrag
257, 77, (2019)
Molecular dynamics of potassium channel permeation, selectivity, and gating. National Meeting of the American-Chemical-Society (ACS), Orlando, FL, 31. März 2019 - 04. April 2019. Abstracts of Papers - American Chemical Society 170.
Konferenzbeitrag
116 (Suppl_1), S. 142A - 143A (2019)
Gromaps: A Gromacs-based toolset to analyse density maps derived from molecular dynamics simulations. 63rd Annual Meeting of the Biophysical-Society, Baltimore, MD, 02. März 2019 - 06. März 2019. Biophysical Journal 171.
Konferenzbeitrag
116 (Suppl_1), S. 16A - 16A (2019)
Molecular simulations of ion permeation, gating and selectivity in K+ channels. 63rd Annual Meeting of the Biophysical-Society, Baltimore, MD, 02. März 2019 - 06. März 2019. Biophysical Journal 172.
Konferenzbeitrag
116 (Suppl_1), S. 301A - 302A (2019)
A pharmacological masterkey mechanism to unlock the selectivity filter gate in K plus channels. 63rd Annual Meeting of the Biophysical-Society , Baltimore, MD, 02. März 2019 - 06. März 2019. Biophysical Journal 173.
Konferenzbeitrag
116 (Suppl_1), S. 463A - 463A (2019)
Thermodynamic coupling - Free energy calculations of correlated amino acid mutations. Biophysical Journal 174.
Konferenzbeitrag
27 (Suppl_1), S. 158 - 159 (2018)
Incorporating hierarchical kinetics into determination of protein structure. 32nd Annual Symposium of the Protein-Society, Boston, MA, 09. Juli 2018 - 12. Juli 2018. Protein Science 175.
Konferenzbeitrag
ATP as a fuel molecule: Evolutionary selection of magnesium-ATP interaction mode facilitates lossless chemomechanical coupling for ATPases. 62nd Annual Meeting of the Biophysical-Society, San Francisco, CA, 17. Februar 2018 - 21. Februar 2018. Biophysical Journal (Suppl), 3 Aufl., S. 680a - 680a (2018)
176.
Konferenzbeitrag
114 (3, Suppl. 1), S. 674a - 674a (2018)
A unified framework for alchemical mutations in proteins, DNA and ligands. 62nd Annual Meeting of the Biophysical-Society, San Francisco, CA, 17. Februar 2018 - 21. Februar 2018. Biophysical Journal 177.
Konferenzbeitrag
46 (Suppl_1), S. S65 - S65 (2017)
Structural ensembles of intrinsically disordered proteins using all-atom molecular simulation. 19th IUPAB Congress / 11th EBSA Congress, Edinburgh, Scotland, 16. Juli 2017 - 20. Juli 2017. European Biophysics Journal 178.
Konferenzbeitrag
112 (Suppl 1), 3 Aufl., S. 175a - 176a (2017)
CHARMM36: An improved force field for folded and intrinsically disordered proteins. 61st Annual Meeting of the Biophysical-Society, New Orleans, LA, 11. Februar 2017 - 15. Februar 2017. Biophysical Journal 179.
Konferenzbeitrag
112 (Suppl 1), 3 Aufl., S. 163a - 163a (2017)
Molecular simulations of ion permeation in potassium channels. 61st Annual Meeting of the Biophysical-Society, New Orleans, LA, 11. Februar 2017 - 15. Februar 2017. Biophysical Journal 180.
Konferenzbeitrag
112 (Suppl 1), 3 Aufl., S. 139a - 139a (2017)
Ions in action - Studying ion channels by computational electrophysiology in GROMACS. 61st Annual Meeting of the Biophysical-Society, New Orleans, LA, 11. Februar 2017 - 15. Februar 2017. Biophysical Journal