Dataset Open Access
Taylor, Corey John; Schönberger, Nora; Laníková, Alice; Patzschke, Michael; Drobot, Björn; Žídek, Lukáš; Lederer, Franziska
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Outputs from post-processing are included here.</p> <p>Raw ITC data is included here.</p> <p>Publication data (04_GalliumPeptidesPCCP.tar.gz) is entirely in Latex.</p> <p>Classical simulations: CHARMM 43b1<br> QMMM simulations: CHARMM 38b1/Turbomole 7.3.1<br> DFT: Turbomole 7.3.1</p></subfield> </datafield> <datafield tag="700" ind1=" " ind2=" "> <subfield code="a">Schönberger, Nora</subfield> <subfield code="0">(orcid)0000-0003-1117-5167</subfield> </datafield> <datafield tag="700" ind1=" " ind2=" "> <subfield code="a">Laníková, Alice</subfield> <subfield code="u">Masaryk University</subfield> </datafield> <datafield tag="700" ind1=" " ind2=" "> <subfield code="a">Patzschke, Michael</subfield> <subfield code="0">(orcid)0000-0003-3125-1278</subfield> </datafield> <datafield tag="700" ind1=" " ind2=" "> <subfield code="a">Drobot, Björn</subfield> <subfield code="0">(orcid)0000-0003-1245-0466</subfield> </datafield> <datafield tag="700" ind1=" " ind2=" "> <subfield code="a">Žídek, Lukáš</subfield> <subfield code="u">Masaryk University</subfield> <subfield code="0">(orcid)0000-0002-8013-0336</subfield> </datafield> <datafield tag="700" ind1=" " ind2=" "> <subfield code="a">Lederer, Franziska</subfield> <subfield code="0">(orcid)0000-0002-0452-3242</subfield> </datafield> </record>
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