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| 001 | 1005446 | ||
| 005 | 20240625095125.0 | ||
| 024 | 7 | _ | |a 10.1021/acs.jcim.2c01620 |2 doi |
| 024 | 7 | _ | |a 0095-2338 |2 ISSN |
| 024 | 7 | _ | |a 1549-9596 |2 ISSN |
| 024 | 7 | _ | |a 1520-5142 |2 ISSN |
| 024 | 7 | _ | |a (BIS |2 ISSN |
| 024 | 7 | _ | |a 44.2004) |2 ISSN |
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| 037 | _ | _ | |a FZJ-2023-01477 |
| 082 | _ | _ | |a 540 |
| 100 | 1 | _ | |a Raghavan, Bharath |0 P:(DE-Juel1)180693 |b 0 |u fzj |
| 245 | _ | _ | |a MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations |
| 260 | _ | _ | |a Washington, DC |c 2023 |b American Chemical Society |
| 336 | 7 | _ | |a article |2 DRIVER |
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| 336 | 7 | _ | |a ARTICLE |2 BibTeX |
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| 536 | _ | _ | |a 5241 - Molecular Information Processing in Cellular Systems (POF4-524) |0 G:(DE-HGF)POF4-5241 |c POF4-524 |f POF IV |x 0 |
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| 700 | 1 | _ | |a Schackert, Florian K. |0 P:(DE-Juel1)180424 |b 1 |u fzj |
| 700 | 1 | _ | |a Levy, Andrea |0 0000-0003-1255-859X |b 2 |
| 700 | 1 | _ | |a Johnson, Sophia K. |0 0000-0003-4207-4350 |b 3 |
| 700 | 1 | _ | |a Ippoliti, Emiliano |0 P:(DE-Juel1)146009 |b 4 |
| 700 | 1 | _ | |a Mandelli, Davide |0 P:(DE-Juel1)190906 |b 5 |e Corresponding author |
| 700 | 1 | _ | |a Olsen, Jógvan Magnus Haugaard |0 0000-0001-7487-944X |b 6 |
| 700 | 1 | _ | |a Rothlisberger, Ursula |0 0000-0002-1704-8591 |b 7 |
| 700 | 1 | _ | |a Carloni, Paolo |0 P:(DE-Juel1)145614 |b 8 |e Corresponding author |
| 773 | _ | _ | |a 10.1021/acs.jcim.2c01620 |g Vol. 63, no. 5, p. 1406 - 1412 |0 PERI:(DE-600)1491237-5 |n 5 |p 1406 - 1412 |t Journal of chemical information and modeling |v 63 |y 2023 |x 0095-2338 |
| 856 | 4 | _ | |y OpenAccess |z StatID:(DE-HGF)0510 |u https://juser.fz-juelich.de/record/1005446/files/Main%20text.pdf |
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| 910 | 1 | _ | |a Forschungszentrum Jülich |0 I:(DE-588b)5008462-8 |k FZJ |b 0 |6 P:(DE-Juel1)180693 |
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| 913 | 1 | _ | |a DE-HGF |b Key Technologies |l Natural, Artificial and Cognitive Information Processing |1 G:(DE-HGF)POF4-520 |0 G:(DE-HGF)POF4-524 |3 G:(DE-HGF)POF4 |2 G:(DE-HGF)POF4-500 |4 G:(DE-HGF)POF |v Molecular and Cellular Information Processing |9 G:(DE-HGF)POF4-5241 |x 0 |
| 914 | 1 | _ | |y 2023 |
| 915 | p | c | |a APC keys set |0 PC:(DE-HGF)0000 |2 APC |
| 915 | p | c | |a Helmholtz: American Chemical Society 01/01/2023 |0 PC:(DE-HGF)0122 |2 APC |
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