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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 Dhfr-inhibitors - Pyrimethamine 0 Dhfr-inhibitors - Pyrimethamine 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1144.38546929; Eh
	2-Jul-2026	/AB-DB Dhfr-inhibitors - Pyrimethamine 0 Dhfr-inhibitors - Pyrimethamine 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1144.3741565; Eh
	2-Jul-2026	/AB-DB Streptogramins - Pristinamycin 0 Streptogramins - Pristinamycin 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-2937.76829753; Eh
	2-Jul-2026	/AB-DB Sulphonamides - Sulfamoxole -1 Sulphonamides - Sulfamoxole -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1214.61500873; Eh
	2-Jul-2026	/AB-DB Macrolides - Solithromycin +1 Macrolides - Solithromycin +1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-2858.88581395; Eh
	2-Jul-2026	/AB-DB Streptogramins - Pristinamycin 0 Streptogramins - Pristinamycin 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2937.7080981; Eh
	2-Jul-2026	/AB-DB Penicillins - Pivmecillinam +1 Penicillins - Pivmecillinam +1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1759.1300128; Eh
	2-Jul-2026	/AB-DB Macrolides - Solithromycin +1 Macrolides - Solithromycin +1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2858.7734396; Eh
	2-Jul-2026	/AB-DB Nitroimidazole - Ornidazole 0 Nitroimidazole - Ornidazole 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1122.81560914; Eh
	2-Jul-2026	/AB-DB Rifamycins - Rifampicin +1 Rifamycins - Rifampicin +1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-2795.70493626; Eh

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