PMID-sentid	Pub_year	Sent_text		comp_official_name	comp_offsetprotein_name	organism	prot_offset
24028499-4	2013	B3LYP/6-311+G(d,p) density functional theory (DFT) calculations show that by using a strategy of resonance donation from six nitrogen atoms via three substituted imidazole subunits, more than 4-fold increase in cation-pi interaction energy (E(M)(+)) can be achieved for a single phenyl ring compared to benzene.	Benzene	303-310	protein tyrosine phosphatase non-receptor type 22	Homo sapiens	2-5	
17036298-7	2006	In contrast, the first vertical ionization energy calculated at the B3 LYP/6-311+G(2d,p) level for the parent tris(TTF)-fused dehydro[18]annulene devoid of peripheral hexyl substituents is in fact lower (by 0.44 eV).	Benzene	137-145	protein tyrosine phosphatase non-receptor type 22	Homo sapiens	71-74	
12537493-7	2003	The recorded spectrum, which is reproduced very well by theoretical calculations using the GIAO method at the hybrid HF-DFT (B3LYP/6-31+G*) level, suggests the sustenance of rather strong diatropicity in its severely bent benzene moiety.	Benzene	222-229	protein tyrosine phosphatase non-receptor type 22	Homo sapiens	127-130