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| 001 | 1017332 | ||
| 005 | 20231116095329.0 | ||
| 024 | 7 | _ | |a 10.1021/acs.jcim.3c01153 |2 doi |
| 024 | 7 | _ | |a 1549-9596 |2 ISSN |
| 024 | 7 | _ | |a 0095-2338 |2 ISSN |
| 024 | 7 | _ | |a 1520-5142 |2 ISSN |
| 024 | 7 | _ | |a (BIS |2 ISSN |
| 024 | 7 | _ | |a 44.2004) |2 ISSN |
| 024 | 7 | _ | |a 1549-960X |2 ISSN |
| 024 | 7 | _ | |a 10.34734/FZJ-2023-04046 |2 datacite_doi |
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| 037 | _ | _ | |a FZJ-2023-04046 |
| 082 | _ | _ | |a 540 |
| 100 | 1 | _ | |a Case, David A. |0 0000-0003-2314-2346 |b 0 |
| 245 | _ | _ | |a AmberTools |
| 260 | _ | _ | |a Washington, DC |c 2023 |b American Chemical Society |
| 336 | 7 | _ | |a article |2 DRIVER |
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| 536 | _ | _ | |a 2171 - Biological and environmental resources for sustainable use (POF4-217) |0 G:(DE-HGF)POF4-2171 |c POF4-217 |f POF IV |x 0 |
| 536 | _ | _ | |a SFB 1208 A03 - Modulierung des funktionellen Zustandes von Membranproteinen durch dynamische Assoziation und Dissoziation (A03) (289532423) |0 G:(GEPRIS)289532423 |c 289532423 |x 1 |
| 588 | _ | _ | |a Dataset connected to CrossRef, Journals: juser.fz-juelich.de |
| 700 | 1 | _ | |a Aktulga, Hasan Metin |0 P:(DE-HGF)0 |b 1 |
| 700 | 1 | _ | |a Belfon, Kellon |0 P:(DE-HGF)0 |b 2 |
| 700 | 1 | _ | |a Cerutti, David S. |0 P:(DE-HGF)0 |b 3 |
| 700 | 1 | _ | |a Cisneros, G. Andrés |0 0000-0001-6629-3430 |b 4 |
| 700 | 1 | _ | |a Cruzeiro, Vinícius Wilian D. |0 0000-0002-4739-5447 |b 5 |
| 700 | 1 | _ | |a Forouzesh, Negin |0 P:(DE-HGF)0 |b 6 |
| 700 | 1 | _ | |a Giese, Timothy J. |0 0000-0002-0653-9168 |b 7 |
| 700 | 1 | _ | |a Götz, Andreas W. |0 0000-0002-8048-6906 |b 8 |
| 700 | 1 | _ | |a Gohlke, Holger |0 P:(DE-Juel1)172663 |b 9 |
| 700 | 1 | _ | |a Izadi, Saeed |0 P:(DE-HGF)0 |b 10 |
| 700 | 1 | _ | |a Kasavajhala, Koushik |0 P:(DE-HGF)0 |b 11 |
| 700 | 1 | _ | |a Kaymak, Mehmet C. |0 P:(DE-HGF)0 |b 12 |
| 700 | 1 | _ | |a King, Edward |0 P:(DE-HGF)0 |b 13 |
| 700 | 1 | _ | |a Kurtzman, Tom |0 P:(DE-HGF)0 |b 14 |
| 700 | 1 | _ | |a Lee, Tai-Sung |0 0000-0003-2110-2279 |b 15 |
| 700 | 1 | _ | |a Li, Pengfei |0 0000-0002-2572-5935 |b 16 |
| 700 | 1 | _ | |a Liu, Jian |0 P:(DE-Juel1)188320 |b 17 |u fzj |
| 700 | 1 | _ | |a Luchko, Tyler |0 0000-0001-6737-6019 |b 18 |
| 700 | 1 | _ | |a Luo, Ray |0 P:(DE-HGF)0 |b 19 |
| 700 | 1 | _ | |a Manathunga, Madushanka |0 0000-0002-3594-8112 |b 20 |
| 700 | 1 | _ | |a Machado, Matias R. |0 0000-0002-9971-4710 |b 21 |
| 700 | 1 | _ | |a Nguyen, Hai Minh |0 0000-0002-0814-1364 |b 22 |
| 700 | 1 | _ | |a O’Hearn, Kurt A. |0 P:(DE-HGF)0 |b 23 |
| 700 | 1 | _ | |a Onufriev, Alexey V. |0 0000-0002-4930-6612 |b 24 |
| 700 | 1 | _ | |a Pan, Feng |0 P:(DE-HGF)0 |b 25 |
| 700 | 1 | _ | |a Pantano, Sergio |0 0000-0001-6435-4543 |b 26 |
| 700 | 1 | _ | |a Qi, Ruxi |0 P:(DE-HGF)0 |b 27 |
| 700 | 1 | _ | |a Rahnamoun, Ali |0 P:(DE-HGF)0 |b 28 |
| 700 | 1 | _ | |a Risheh, Ali |0 P:(DE-HGF)0 |b 29 |
| 700 | 1 | _ | |a Schott-Verdugo, Stephan |0 P:(DE-Juel1)187014 |b 30 |
| 700 | 1 | _ | |a Shajan, Akhil |0 P:(DE-HGF)0 |b 31 |
| 700 | 1 | _ | |a Swails, Jason |0 P:(DE-HGF)0 |b 32 |
| 700 | 1 | _ | |a Wang, Junmei |0 0000-0002-9607-8229 |b 33 |
| 700 | 1 | _ | |a Wei, Haixin |0 0000-0002-0954-4560 |b 34 |
| 700 | 1 | _ | |a Wu, Xiongwu |0 P:(DE-HGF)0 |b 35 |
| 700 | 1 | _ | |a Wu, Yongxian |0 0000-0003-1497-2444 |b 36 |
| 700 | 1 | _ | |a Zhang, Shi |0 P:(DE-Juel1)168221 |b 37 |
| 700 | 1 | _ | |a Zhao, Shiji |0 0000-0002-4514-0897 |b 38 |
| 700 | 1 | _ | |a Zhu, Qiang |0 0000-0002-5612-0728 |b 39 |
| 700 | 1 | _ | |a Cheatham, Thomas E. |0 0000-0003-0298-3904 |b 40 |
| 700 | 1 | _ | |a Roe, Daniel R. |0 P:(DE-HGF)0 |b 41 |
| 700 | 1 | _ | |a Roitberg, Adrian |0 0000-0003-3963-8784 |b 42 |
| 700 | 1 | _ | |a Simmerling, Carlos |0 0000-0002-7252-4730 |b 43 |
| 700 | 1 | _ | |a York, Darrin M. |0 0000-0002-9193-7055 |b 44 |
| 700 | 1 | _ | |a Nagan, Maria C. |0 0000-0003-2678-6825 |b 45 |e Corresponding author |
| 700 | 1 | _ | |a Merz, Kenneth M. |0 0000-0001-9139-5893 |b 46 |e Corresponding author |
| 773 | _ | _ | |a 10.1021/acs.jcim.3c01153 |g Vol. 63, no. 20, p. 6183 - 6191 |0 PERI:(DE-600)1491237-5 |n 20 |p 6183 - 6191 |t Journal of chemical information and modeling |v 63 |y 2023 |x 1549-9596 |
| 856 | 4 | _ | |y OpenAccess |u https://juser.fz-juelich.de/record/1017332/files/AmberTools%202023_v12.pdf |
| 856 | 4 | _ | |y OpenAccess |u https://juser.fz-juelich.de/record/1017332/files/case-et-al-2023-ambertools.pdf |
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| 913 | 1 | _ | |a DE-HGF |b Forschungsbereich Erde und Umwelt |l Erde im Wandel – Unsere Zukunft nachhaltig gestalten |1 G:(DE-HGF)POF4-210 |0 G:(DE-HGF)POF4-217 |3 G:(DE-HGF)POF4 |2 G:(DE-HGF)POF4-200 |4 G:(DE-HGF)POF |v Für eine nachhaltige Bio-Ökonomie – von Ressourcen zu Produkten |9 G:(DE-HGF)POF4-2171 |x 0 |
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