ELIZA

return kwic search for used to out of >500 occurrences
298981 occurrences (No.78 in the rank) during 5 years in the PubMed. [no cache] 500 found

170) The molecular dynamics simulation is used to explore different dynamic properties of active site in native and metal-bound mutated structures.

--- ABSTRACT ---

PMID:24320678 DOI:10.1080/07391102.2013.865104

2015 Journal of biomolecular structure & dynamics

* Study of mutation and misfolding of Cu-Zn SOD1 protein.

- The main objective of this work is to determine the mechanism for misfolding and aggregation as a result of mutations in Cu-Zn superoxide dismutase1. The quantum mechanical approach is beneficial for investigating the early stages of mutation, misfolding, and loss of protection of the native structures involved in the neuro-degeneration disease Amyotrophic Lateral Sclerosis. All the structures were optimized using density functional theory (B3LYP) with 6-31G* and LANL2DZ basis sets. The binding energies of the metal ions with their associated residues in the active site loop and metal binding loop have been investigated for native and metal-bound mutated structures. The metal ion affinity (MIA) was computed for all the structures. The binding energy and MIA in gas phase reveal the nature of interaction of active site residues with the metal cations. The electronic effect prevailing between the side chains of the residues in the active site governing the intermolecular interactions is given by the polarizability studies. The role of the bridging residue His 63 in the active site of the protein in the native and metal-bound mutated structures have been studied using ONIOM method to reveal the changes that takes place in the structural parameters during mutation. The molecular dynamics simulation is used to explore different dynamic properties of active site in native and metal-bound mutated structures. The structural information provided by the molecular dynamics simulation illustrates the structural consequences in the mutated structures.

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[frequency of next (right) word to used to]

(1)28 assess	(20)5 design	(39)3 establish	(58)2 find
(2)28 identify	(21)5 increase	(40)3 observe	(59)2 fit
(3)23 evaluate	(22)5 inform	(41)3 prevent	(60)2 form
(4)20 study	(23)5 obtain	(42)3 solve	(61)2 further
(5)17 estimate	(24)5 quantify	(43)3 validate	(62)2 gain
(6)17 measure	(25)5 reconstruct	(44)2 accurately	(63)2 help
(7)16 determine	(26)4 calculate	(45)2 address	(64)2 improve
(8)16 examine	(27)4 characterize	(46)2 amplify	(65)2 make
(9)12 explore	(28)4 confirm	(47)2 avoid	(66)2 match
(10)10 treat	(29)4 construct	(48)2 be	(67)2 optimize
(11)9 analyze	(30)4 illustrate	(49)2 conduct	(68)2 perform
(12)8 develop	(31)4 reduce	(50)2 create	(69)2 prepare
(13)8 investigate	(32)4 screen	(51)2 demonstrate	(70)2 produce
(14)8 predict	(33)4 simulate	(52)2 derive	(71)2 promote
(15)7 collect	(34)4 verify	(53)2 describe	(72)2 recruit
(16)7 compare	(35)3 classify	(54)2 distinguish	(73)2 represent
(17)7 test	(36)3 compute	(55)2 explain	(74)2 select
(18)6 analyse	(37)3 control	(56)2 extrapolate
(19)6 detect	(38)3 define	(57)2 facilitate

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--- WordNet output for used --- =>1.〜に慣れて, 2.用いられた, 中古の Overview of verb use The verb use has 6 senses (first 3 from tagged texts) 1. (603) use, utilize, utilise, apply, employ -- (put into service; make work or employ for a particular purpose or for its inherent or natural purpose; "use your head!"; "we only use Spanish at home"; "I can't use this tool"; "Apply a magnetic field here"; "This thinking was applied to many projects"; "How do you utilize this tool?"; "I apply this rule to get good results"; "use the plastic bags to store the food"; "He doesn't know how to use a computer") 2. (12) use, habituate -- (take or consume (regularly or habitually); "She uses drugs rarely") 3. (8) use, expend -- (use up, consume fully; "The legislature expended its time on school questions") 4. use -- (seek or achieve an end by using to one's advantage; "She uses her influential friends to get jobs"; "The president's wife used her good connections") 5. practice, apply, use -- (avail oneself to; "apply a principle"; "practice a religion"; "use care when going down the stairs"; "use your common sense"; "practice non-violent resistance") 6. use -- (habitually do something (use only in the past tense); "She used to call her mother every week but now she calls only occasionally"; "I used to get sick when I ate in that dining hall"; "They used to vacation in the Bahamas") Overview of adj used The adj used has 3 senses (first 3 from tagged texts) 1. (4) used -- (employed in accomplishing something; "the principle of surprise is the most used and misused of all the principles of war"- H.H.Arnold & I.C.Eaker) 2. (1) exploited, ill-used, put-upon, used, victimized, victimised -- (of persons; taken advantage of; "after going out of his way to help his friend get the job he felt not appreciated but used") 3. (1) secondhand, used -- (previously used or owned by another; "bought a secondhand (or used) car") --- WordNet end ---