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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 Efflux pumps inhibitors - Amitriptyline +1 Efflux pumps inhibitors - Amitriptyline +1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-831.220327818; Eh
	2-Jul-2026	/AB-DB Efflux pumps inhibitors - MBX2931 +1 Efflux pumps inhibitors - MBX2931 +1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2008.3314056; Eh
	2-Jul-2026	/AB-DB Efflux pumps inhibitors - Amitriptyline +1 Efflux pumps inhibitors - Amitriptyline +1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-831.1440943; Eh
	2-Jul-2026	/AB-DB Carbapenems - Razupenem 0 Carbapenems - Razupenem 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1960.01488609; Eh
	2-Jul-2026	/AB-DB Carbapenems - Doripenem 0 Carbapenems - Doripenem 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	#B3LYP	6-31G(D,P)	-2052.71523011; Eh
	2-Jul-2026	/AB-DB Aminoglycosides - Paromomycin +4 Aminoglycosides - Paromomycin +4 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2231.5225393; Eh
	2-Jul-2026	/AB-DB Carbapenems - Razupenem 0 Carbapenems - Razupenem 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1959.9212565; Eh
	2-Jul-2026	/AB-DB Carbapenems - Doripenem 0 Carbapenems - Doripenem 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2052.5819731; Eh
	3-Jul-2026	/PFECA Gen X (Decarboxylated)	Armentrout, Peter; Ieritano, Christian; Dodds, James; Hopkins, Scott; Baker, Erin; Fry, Allison	Orca; 6.1.0; RELEASE	Geometry optimization; Single point Minimum; Single point	DFT	def2-TZVPPD; def2/J	-1364.09708326937175; -1364.12589748335381; -1358.62074990154338; Eh; Eh; Eh
	3-Jul-2026	/PFASA FHxSAA	Armentrout, Peter; Ieritano, Christian; Dodds, James; Hopkins, Scott; Baker, Erin; Fry, Allison	Orca; 6.1.0; RELEASE	Geometry optimization; Single point Minimum; Single point	DFT	def2-TZVPPD; def2/J	-2358.52719619233631; -2358.53395524339339; -2349.68887581685522; Eh; Eh; Eh

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