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11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015.
J Cheminform. 2016 Apr 26;8(Suppl 1):18. doi: 10.1186/s13321-016-0119-5.
J Cheminform. 2016.
PMID: 29270804
Free PMC article.
No abstract available.
Designing molecular complexes using free-energy derivatives from liquid-state integral equation theory.
Mrugalla F, Kast SM.
Mrugalla F, et al.
J Phys Condens Matter. 2016 Sep 1;28(34):344004. doi: 10.1088/0953-8984/28/34/344004. Epub 2016 Jul 1.
J Phys Condens Matter. 2016.
PMID: 27366935
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Drugging the catalytically inactive state of RET kinase in RET-rearranged tumors.
Plenker D, Riedel M, Brägelmann J, Dammert MA, Chauhan R, Knowles PP, Lorenz C, Keul M, Bührmann M, Pagel O, Tischler V, Scheel AH, Schütte D, Song Y, Stark J, Mrugalla F, Alber Y, Richters A, Engel J, Leenders F, Heuckmann JM, Wolf J, Diebold J, Pall G, Peifer M, Aerts M, Gevaert K, Zahedi RP, Buettner R, Shokat KM, McDonald NQ, Kast SM, Gautschi O, Thomas RK, Sos ML.
Plenker D, et al. Among authors: mrugalla f.
Sci Transl Med. 2017 Jun 14;9(394):eaah6144. doi: 10.1126/scitranslmed.aah6144.
Sci Transl Med. 2017.
PMID: 28615362
Free PMC article.
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