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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 Nitrofurans - Nifurtoinol 0 Nitrofurans - Nifurtoinol 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1018.01484559; Eh
	2-Jul-2026	/AB-DB Monobactams - Bal30072 -1 Monobactams - Bal30072 -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2496.9512992; Eh
	2-Jul-2026	/AB-DB Oxazolidinones - Sutezolid 0 Oxazolidinones - Sutezolid 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1509.7604217; Eh
	2-Jul-2026	/AB-DB Nitrofurans - Nifurtoinol 0 Nitrofurans - Nifurtoinol 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1017.9899974; Eh
	2-Jul-2026	/AB-DB Efflux pumps inhibitors - MBX3135 0 Efflux pumps inhibitors - MBX3135 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1930.3599444; Eh
	2-Jul-2026	/AB-DB Aminoglycosides - Spectinomycin +1 Aminoglycosides - Spectinomycin +1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1184.48193522; Eh
	2-Jul-2026	/AB-DB Efflux pumps inhibitors - NMP +1 Efflux pumps inhibitors - NMP +1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	#B3LYP	6-31G(D,P)	-692.431582515; Eh
	2-Jul-2026	/AB-DB DHFR inhibitors - Triclosan 0 DHFR inhibitors - Triclosan 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1992.53410671; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Ceftaroline 0 Cephalosporins - Ceftaroline 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-3257.23655985; Eh
	2-Jul-2026	/AB-DB Sulphonamides - Sulfadoxine -1 Sulphonamides - Sulfadoxine -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1383.28071171; Eh

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