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1 Ergebnisse
1
DataSheet1_Relative binding free energy calculations with t..:
Johannes Karwounopoulos
;
Marcus Wieder
;
Stefan Boresch
doi:10.3389/fmolb.2022.954638.s001. , 2022
Link:
https://doi.org/10.3389/fmolb.2022.954638.s001
RT Journal T1
DataSheet1_Relative binding free energy calculations with transformato: A molecular dynamics engine-independent tool.pdf
UL https://suche.suub.uni-bremen.de/peid=base-ftfrontimediafig:oai:figshare.com:article_20963626&Exemplar=1&LAN=DE A1 Johannes Karwounopoulos A1 Marcus Wieder A1 Stefan Boresch YR 2022 K1 Biochemistry K1 Molecular Biology K1 Structural Biology K1 Enzymes K1 Protein Trafficking K1 Proteomics and Intermolecular Interactions (excl. Medical Proteomics) K1 Receptors and Membrane Biology K1 Signal Transduction K1 Structural Biology (incl. Macromolecular Modelling) K1 Synthetic Biology K1 free energy K1 molecular dynamics simulation K1 binding affinity K1 automated setup K1 open source K1 python (programming language) JF doi:10.3389/fmolb.2022.954638.s001 LK http://dx.doi.org/https://doi.org/10.3389/fmolb.2022.954638.s001 DO https://doi.org/10.3389/fmolb.2022.954638.s001 SF ELIB - SuUB Bremen
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