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return kwic search for novel out of >500 occurrences
330250 occurrences (No.59 in the rank) during 5 years in the PubMed. [no cache] 500 found

70) These calculations employ a novel technique called eCADD on the protein's full electron structure along with its hydrophobic pocket and the frontier-orbital-perturbation theory.

--- ABSTRACT ---

PMID:24471694 DOI:10.1080/07391102.2014.880374

2015 Journal of biomolecular structure & dynamics

* The full electron structure of the FKBP12/FK506 complex.

- We present a study of FKBP12/FK506 using an electron structure calculation. These calculations employ a novel technique called eCADD on the protein's full electron structure along with its hydrophobic pocket and the frontier-orbital-perturbation theory. We first obtain the energy bands and orbital coefficients of protein FKBP12. On this basis, we found that the activity atoms and activity residues of FKBP12 were in good agreement with X-ray crystallography experiments. The results indicate that the interactions occur only between the LUMOs of FKBP12 and the HOMO of FK506, not between the HOMOs of FKBP12 and the LUMO of FK506. In other words, the activity sites of protein FKBP12 are located on its LUMOs, not HOMOs. The electron structures of FKBP12/FK506 give us a clearer understanding of their interaction mechanism and will help us design new ligands of FKBP12.

--- ABSTRACT END ---

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[frequency of next (right) word to novel]

(1)22 therapeutic	(17)3 mutation	(33)2 approaches	(49)2 information
(2)11 and	(18)3 paradigm	(34)2 autosomal	(50)2 inhibitors
(3)8 mechanism	(19)3 role	(35)2 candidate	(51)2 learning
(4)8 method	(20)3 strain	(36)2 cardiac	(52)2 modulators
(5)7 approach	(21)3 target	(37)2 clinical	(53)2 object
(6)7 mutations	(22)3 targeted	(38)2 compounds	(54)2 oral
(7)6 therapies	(23)3 targets	(39)2 data	(55)2 polymer
(8)5 technique	(24)3 treatment	(40)2 described	(56)2 potent
(9)4 strategies	(25)3 type	(41)2 dual	(57)2 prognostic
(10)4 strategy	(26)3 words	(42)2 electroporation	(58)2 putative
(11)4 surgical	(27)2 null	(43)2 finding	(59)2 recombinants
(12)3 antibacterial	(28)2 anti-tumor	(44)2 findings	(60)2 results
(13)3 drug	(29)2 antibiotic	(45)2 form	(61)2 therapeutical
(14)3 homozygous	(30)2 anticancer	(46)2 genetic	(62)2 titanium
(15)3 insights	(31)2 application	(47)2 imaging	(63)2 treatments
(16)3 mechanisms	(32)2 applications	(48)2 in

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--- WordNet output for novel --- =>1.よく知られていない, 新しい, 珍奇な, 異常な, 新奇な, 目新しい, 2.(長編)小説 Overview of noun novel The noun novel has 2 senses (first 1 from tagged texts) 1. (17) novel -- (an extended fictional work in prose; usually in the form of a story) 2. novel -- (a printed and bound book that is an extended work of fiction; "his bookcases were filled with nothing but novels"; "he burned all the novels") Overview of adj novel The adj novel has 2 senses (first 1 from tagged texts) 1. (6) fresh, new, novel -- (original and of a kind not seen before; "the computer produced a completely novel proof of a well-known theorem") 2. novel, refreshing -- (pleasantly new or different; "common sense of a most refreshing sort") --- WordNet end ---