Exploring the Multidimensional Free Energy Surface of Phosphoester Hydrolysis with Constrained QM/MM Dynamics
Li, Wenjin, Rudack, Till, Gerwert, Klaus, Gräter, Frauke and Schlitter, Jürgen (2012) Exploring the Multidimensional Free Energy Surface of Phosphoester Hydrolysis with Constrained QM/MM Dynamics. Journal of Chemical Theory and Computation 8 (10), pp. 3596-3604.Date of publication of this fulltext: 06 Mar 2025 13:13
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| Item type | Article | ||||
| Journal or Publication Title | Journal of Chemical Theory and Computation | ||||
| Publisher: | American Chemical Society (ACS) | ||||
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| Volume: | 8 | ||||
| Number of Issue or Book Chapter: | 10 | ||||
| Page Range: | pp. 3596-3604 | ||||
| Date | 26 April 2012 | ||||
| Institutions | Biology, Preclinical Medicine > Institut für Biophysik und physikalische Biochemie > Prof. Dr. Till Rudack | ||||
| Identification Number |
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| Dewey Decimal Classification | 500 Science > 500 Natural sciences & mathematics 500 Science > 570 Life sciences | ||||
| Status | Published | ||||
| Refereed | Yes, this version has been refereed | ||||
| Created at the University of Regensburg | No | ||||
| Item ID | 75131 |
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