J Chem Inf Model - Kink characterization and modeling in transmembrane protein structures.

Tópicos

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{ model(3404) distribut(989) bayesian(671) }
{ method(1219) similar(1157) match(930) }
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{ compound(1573) activ(1297) structur(1058) }
{ method(2212) result(1239) propos(1039) }
{ take(945) account(800) differ(722) }
{ studi(2440) review(1878) systemat(933) }
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{ patient(2837) hospit(1953) medic(668) }
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{ data(2317) use(1299) case(1017) }
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{ cost(1906) reduc(1198) effect(832) }
{ group(2977) signific(1463) compar(1072) }
{ sampl(1606) size(1419) use(1276) }
{ gene(2352) biolog(1181) express(1162) }
{ data(3008) multipl(1320) sourc(1022) }
{ intervent(3218) particip(2042) group(1664) }
{ time(1939) patient(1703) rate(768) }
{ patient(1821) servic(1111) care(1106) }
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{ health(1844) social(1437) communiti(874) }
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{ use(1733) differ(960) four(931) }
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{ survey(1388) particip(1329) question(1065) }
{ estim(2440) model(1874) function(577) }
{ decis(3086) make(1611) patient(1517) }
{ process(1125) use(805) approach(778) }
{ activ(1452) weight(1219) physic(1104) }
{ method(1969) cluster(1462) data(1082) }
{ detect(2391) sensit(1101) algorithm(908) }

Resumo

Kinks have been observed to provide important functional and structural features for membrane proteins. Despite their ubiquity in membrane proteins, and their perceived importance, no protein modeling methods explicitly considers kinks. In spite of the limited data for transmembrane proteins, we were able to develop a knowledge-based modeling method for introducing kinks, which we demonstrate can be exploited in modeling approaches to improve the quality of models. The work entailed a thorough analysis of the available high resolution membrane protein structures, concomitantly demonstrating the complexity of the structural considerations for kink prediction. Furthermore, our results indicate that there are systematic and significant differences in the sequence as well as the structural environment between kinked and nonkinked transmembrane helices. To the best of our knowledge, we are reporting a method for modeling kinks for the first time.

Resumo Limpo

kink observ provid import function structur featur membran protein despit ubiqu membran protein perceiv import protein model method explicit consid kink spite limit data transmembran protein abl develop knowledgebas model method introduc kink demonstr can exploit model approach improv qualiti model work entail thorough analysi avail high resolut membran protein structur concomit demonstr complex structur consider kink predict furthermor result indic systemat signific differ sequenc well structur environ kink nonkink transmembran helic best knowledg report method model kink first time

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