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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 Penicillins - Mecillinam 0 Penicillins - Mecillinam 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1373.5134034; Eh
	2-Jul-2026	/AB-DB Phospho-glyco-lipids - Moenomycin -2 Phospho-glyco-lipids - Moenomycin -2 opt	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	xtb; 6.7.1; edcfbbe	Geometry optimization	GFN2-xTB	-	-358.310652857089; Eh
	2-Jul-2026	/AB-DB Efflux pumps inhibitors - PAbN +2 Efflux pumps inhibitors - PAbN +2 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	#B3LYP	6-31G(D,P)	-1450.75541876; Eh
	2-Jul-2026	/AB-DB Efflux pumps inhibitors - PAbN +2 Efflux pumps inhibitors - PAbN +2 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1450.5118672; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Cephapirin -1 Cephalosporins - Cephapirin -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-2069.59904249; Eh
	2-Jul-2026	/AB-DB DHFR inhibitors - Epiroprim 0 DHFR inhibitors - Epiroprim 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1162.13681006; Eh
	2-Jul-2026	/AB-DB Aminoglycosides - Tobramycin +4 Aminoglycosides - Tobramycin +4 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1660.81901809; Eh
	2-Jul-2026	/AB-DB Nitrofurans - Nifurquinazol 0 Nitrofurans - Nifurquinazol 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1214.36764212; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Cephapirin -1 Cephalosporins - Cephapirin -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2069.4959048; Eh
	2-Jul-2026	/AB-DB Aminoglycosides - Tobramycin +4 Aminoglycosides - Tobramycin +4 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1660.0274348; Eh

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