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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Jul-2026	/AB-DB Aminoglycosides - Dibekacin +5 Aminoglycosides - Dibekacin +5 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1584.7997336; Eh
	2-Jul-2026	/AB-DB Pleuromutilins - Tiamulin +1 Pleuromutilins - Tiamulin +1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1849.5284986; Eh
	2-Jul-2026	/AB-DB Cyclic-polypeptides - Enramycin A +2 Cyclic-polypeptides - Enramycin A +2 freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	xtb; 6.7.1; edcfbbe	Geometry optimization; Frequency calculation	GFN2-xTB	-	-514.598614330873; Eh
	2-Jul-2026	/AB-DB Ionophores - Tetronasin 0 Ionophores - Tetronasin 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1968.0706948; Eh
	2-Jul-2026	/AB-DB Cyclic-polypeptides - Enramycin A +2 Cyclic-polypeptides - Enramycin A +2 opt	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	xtb; 6.7.1; edcfbbe	Geometry optimization	GFN2-xTB	-	-514.949303821717; Eh
	2-Jul-2026	/AB-DB Efflux pumps inhibitors - MBX3132 0 Efflux pumps inhibitors - MBX3132 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1892.2871701; Eh
	2-Jul-2026	/AB-DB Penicillins - Mezlocillin -1 Penicillins - Mezlocillin -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-2486.79281801; Eh
	2-Jul-2026	/AB-DB Macrolides - Cethromycin +1 Macrolides - Cethromycin +1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-2553.06141015; Eh
	2-Jul-2026	/AB-DB Penicillins - Mezlocillin -1 Penicillins - Mezlocillin -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2486.6834895; Eh
	2-Jul-2026	/AB-DB Penicillins - 6apa -1 Penicillins - 6apa -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	#B3LYP	6-31G(D,P)	-1044.98492603; Eh

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