%0 Journal Article %1 markthaler2018overcoming %A Markthaler, Daniel %A Kraus, Hamzeh %A Hansen, Niels %D 2018 %I ACS Publications %J Journal of Chemical Information and Modeling %K %N 11 %P 2305-2318 %R 10.1021/acs.jcim.8b00581 %T Overcoming Convergence Issues in Free-Energy Calculations of Amide-to-Ester Mutations in the Pin1-WW Domain %V 58

@article{markthaler2018overcoming, added-at = {2023-08-19T11:55:28.000+0200}, affiliation = {Hansen, N (Reprint Author), Univ Stuttgart, Inst Thermodynam & Thermal Proc Engn, D-70569 Stuttgart, Germany. Markthaler, Daniel; Kraus, Hamzeh; Hansen, Niels, Univ Stuttgart, Inst Thermodynam & Thermal Proc Engn, D-70569 Stuttgart, Germany.}, author = {Markthaler, Daniel and Kraus, Hamzeh and Hansen, Niels}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/22232deade65da6833a4bb27d6461c11a/unibiblio}, doi = {10.1021/acs.jcim.8b00581}, interhash = {27895852fe9bcf36ed6365d643b28da9}, intrahash = {2232deade65da6833a4bb27d6461c11a}, issn = {{1549-9596} and {1549-960X}}, journal = {Journal of Chemical Information and Modeling}, keywords = {}, language = {eng}, number = 11, orcid-numbers = {Hansen, Niels/0000-0003-4366-6120}, pages = {2305-2318}, publisher = {ACS Publications}, research-areas = {Pharmacology & Pharmacy; Chemistry; Computer Science}, timestamp = {2023-08-19T09:55:28.000+0200}, title = {Overcoming Convergence Issues in Free-Energy Calculations of Amide-to-Ester Mutations in the Pin1-WW Domain}, unique-id = {ISI:000451650400014}, volume = 58, year = 2018 }