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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 0 DHFR inhibitors - Brodimoprim 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-3445.5976793; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Cephalexin 0 Cephalosporins - Cephalexin 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1483.30246847; Eh
	2-Jul-2026	/AB-DB Quinolones - Sarafloxacin -1 Quinolones - Sarafloxacin -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1361.53212390; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Cephalotin -1 Cephalosporins - Cephalotin -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1976.0285825; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Cephalexin 0 Cephalosporins - Cephalexin 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1483.1929442; Eh
	2-Jul-2026	/AB-DB Sulphonamides - Sulfacarbamide -1 Sulphonamides - Sulfacarbamide -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1059.80141712; Eh
	2-Jul-2026	/AB-DB Anti-tuberculosis - Pyrazinamide 0 Anti-tuberculosis - Pyrazinamide 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-433.0365437; Eh
	2-Jul-2026	/AB-DB Sulphonamides - Sulfacarbamide -1 Sulphonamides - Sulfacarbamide -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1059.6975352; Eh
	2-Jul-2026	/AB-DB Polymyxin - Polymyxin B +5 Polymyxin - Polymyxin B +5 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-4048.6202828; Eh
	2-Jul-2026	/AB-DB Polymyxin - SPR-741 +3 Polymyxin - SPR-741 +3 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-3411.5140575; Eh

Results 403061-403070 of 403438 (Search time: 0.211 seconds).