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  5. Computational and Experimental Studies on β-Sheet Breakers Targeting Aβ1-40 Fibrils

Computational and Experimental Studies on β-Sheet Breakers Targeting Aβ1-40 Fibrils

来源 :8th IUPAP International Conference on Biological Physics(第八届 | 被引量 : 0次 | 上传用户：lbc573332496
【摘 要】
：
In this work we present and compare the results of extensive molecular dynamics simulations of model systems comprising an Aβ1-40 peptide in water, in interaction with short peptides (p-sheet breakers
【作 者】
：
V.Minicozzi R.Chiaraluce V.Consalvi C.Giordano C.Narcisi P.Punzi S.Morante G.C.Rossi 
【机 构】
：
Dept.of Physics,University of Rome Tor Vergata and INFN,Roma,Italy
【出 处】
：
8th IUPAP International Conference on Biological Physics(第八届
【发表日期】
：
2014年8期
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In this work we present and compare the results of extensive molecular dynamics simulations of model systems comprising an Aβ1-40 peptide in water, in interaction with short peptides (p-sheet breakers) mimicking the 17-21 region of the Aβ1-40 sequence.Various systems differing in the customized β-sheet breaker (bsb) structure have been studied.Specifically we have considered three kinds of sbs, namely Ac-LPFFD-NH2 and two variants thereof, one obtained by substituting the acetyl group with the sulfonic amino acid taurine (Tau-LPFFD-NH2)and a second novel one in which the aspartic acid is substituted by an asparagine (Ac-LPFFN-NH2).
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