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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 - Brodimoprim +1 DHFR inhibitors - Brodimoprim +1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-3446.07672554; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Cefmenoxime -1 Cephalosporins - Cefmenoxime -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-2682.84797846; Eh
	2-Jul-2026	/AB-DB DHFR inhibitors - Brodimoprim +1 DHFR inhibitors - Brodimoprim +1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-3445.9947122; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Loracarbef 0 Cephalosporins - Loracarbef 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1544.70065326; Eh
	2-Jul-2026	/AB-DB Lincosamides - Desalicetin 0 Lincosamides - Desalicetin 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1701.34995505; Eh
	2-Jul-2026	/AB-DB Macrolides - Modithromycin +1 Macrolides - Modithromycin +1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-2833.48412708; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Cefmenoxime -1 Cephalosporins - Cefmenoxime -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2682.7419324; Eh
	2-Jul-2026	/AB-DB Lincosamides - Desalicetin 0 Lincosamides - Desalicetin 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1701.3083797; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Loracarbef 0 Cephalosporins - Loracarbef 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1544.5811457; Eh
	2-Jul-2026	/AB-DB Macrolides - Roxithromycin +1 Macrolides - Roxithromycin +1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-2846.42400498; Eh

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