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Dataset of AMBER force field parameters of drugs, natural p..:
Jennifer Loschwitz
;
Anna Jäckering
;
Monika Keutmann
...
http://www.sciencedirect.com/science/article/pii/S2352340921002328. , 2021
Link:
https://doi.org/10.1016/j.dib.2021.106948
RT Journal T1
Dataset of AMBER force field parameters of drugs, natural products and steroids for simulations using GROMACS
UL https://suche.suub.uni-bremen.de/peid=base-ftdoajarticles:oai:doaj.org_article:611890a2447e4a6a9dfbb22664a3b42c&Exemplar=1&LAN=DE A1 Jennifer Loschwitz A1 Anna Jäckering A1 Monika Keutmann A1 Maryam Olagunju A1 Olujide O. Olubiyi A1 Birgit Strodel PB Elsevier YR 2021 K1 force field parameterization K1 AMBER force field K1 MD simulations K1 GROMACS K1 Quantum mechanics K1 drugs K1 Computer applications to medicine. Medical informatics K1 R858-859.7 K1 Science (General) K1 Q1-390 JF http://www.sciencedirect.com/science/article/pii/S2352340921002328 LK http://dx.doi.org/https://doi.org/10.1016/j.dib.2021.106948 DO https://doi.org/10.1016/j.dib.2021.106948 SF ELIB - SuUB Bremen
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