Optimized magnesium force field parameters for biomolecular simulations with accurate solvation, ion-binding, and water-exchange properties in SPC/E, TIP3P-fb, TIP4P/2005, TIP4P-Ew, and TIP4P-D
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| Author: | Kara K. Grotz, Nadine SchwierzORCiDGND |
|---|---|
| URN: | urn:nbn:de:bvb:384-opus4-941873 |
| Frontdoor URL | https://opus.bibliothek.uni-augsburg.de/opus4/94187 |
| ISSN: | 1549-9618OPAC |
| ISSN: | 1549-9626OPAC |
| Parent Title (English): | Journal of Chemical Theory and Computation |
| Publisher: | American Chemical Society (ACS) |
| Type: | Article |
| Language: | English |
| Year of first Publication: | 2021 |
| Publishing Institution: | Universität Augsburg |
| Release Date: | 2022/04/04 |
| Tag: | Computer Science Applications; Physical and Theoretical Chemistry |
| Volume: | 18 |
| Issue: | 1 |
| First Page: | 526 |
| Last Page: | 537 |
| DOI: | https://doi.org/10.1021/acs.jctc.1c00791 |
| Institutes: | Mathematisch-Naturwissenschaftlich-Technische Fakultät |
| Mathematisch-Naturwissenschaftlich-Technische Fakultät / Institut für Physik | |
| Mathematisch-Naturwissenschaftlich-Technische Fakultät / Institut für Physik / AG Computergestützte Biologie | |
| Dewey Decimal Classification: | 5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik |
| Licence (German): |  CC-BY 4.0: Creative Commons: Namensnennung |
