Impact of Mutations on the Conformational Transition from α-Helix to β-Sheet Structures in Arctic-Type Aβ40: Insights from Molecular Dynamics Simulations
… conformational clustering, secondary structure analysis, dynamics of Asp23–Lys28 intrapeptide
salt bridge … within the Val24–Lys28 region results in the Aβ monomer folding, which, in …
salt bridge … within the Val24–Lys28 region results in the Aβ monomer folding, which, in …
Effect of Piedmont mutation (L34V) on the structure, dynamics, and aggregation of Alzheimer's Aβ40 peptide
RK Saini, H Thakur, B Goyal - Journal of Molecular Graphics and Modelling, 2020 - Elsevier
… -terminus of Aβ 40 monomeric structure. The higher probability of Asp23–Lys28 salt bridge
interaction in Aβ 40 (L34V) leads to aggregation prone β–sheet conformations, which has the …
interaction in Aβ 40 (L34V) leads to aggregation prone β–sheet conformations, which has the …
Differences in the free energies between the excited states of Aβ40 and Aβ42 monomers encode their aggregation propensities
D Chakraborty, JE Straub… - Proceedings of the …, 2020 - National Acad Sciences
… -specific conformational heterogeneity of the monomer … first hint that sequence-specific effects
as well as the inherent … formation of E22/D23-K28 salt bridges, as well as SLS topologies, …
as well as the inherent … formation of E22/D23-K28 salt bridges, as well as SLS topologies, …
In Silico Studies of Amyloid Formation and Amyloid Stability
W Wang - 2020 - shareok.org
… In this thesis, SAA monomer and hexamer fragments are studied to answer this question. …
a faster process for our system as the K28-A42 salt bridge restricts the conformation space. …
a faster process for our system as the K28-A42 salt bridge restricts the conformation space. …
ATP Prevents Aggregation of Protein via Modulating its Monomeric Conformation
… To realize the effect of ATP on the conformational ensemble … D23-K28 salt bridge interaction
in Aβ40 has remained crucial … with preformed Aβ40 dimer (three dimer conformations were …
in Aβ40 has remained crucial … with preformed Aβ40 dimer (three dimer conformations were …
Mechanistic insights into the mitigation of Aβ aggregation and protofibril destabilization by ad-enantiomeric decapeptide rk10
… The GA–Q destroys the Asp23-Lys28 salt bridges and restricts … conformational fluctuations
in Aβ 42 monomer and Aβ 42 … understand the effect of rk10 on the conformational changes in …
in Aβ 42 monomer and Aβ 42 … understand the effect of rk10 on the conformational changes in …
[PDF][PDF] The Role of Binding Site Specificity in Aβ42 Fibrils Disaggregation through a Synthetic Paratope
S Tiwari - researchgate.net
… bilizes the Asp23-Lys28 salt bridge by interacting with Lys28(… the effect of SP binding on the
stability of the salt bridges, we … tion of full-length Aβ1−42 monomers. The nine chains are two …
stability of the salt bridges, we … tion of full-length Aβ1−42 monomers. The nine chains are two …
Evaluating the multifunctionality of a new modulator of zinc-induced Aβ aggregation using a novel computational approach
M Asadbegi, A Shamloo - Journal of Chemical Information and …, 2021 - ACS Publications
… ; (e) Aβ monomer in the water box (control system). (f) ASP23-LYS28 salt bridge distance …
The comparison of Figure 8a and Figure 8c well illustrates the effects of these interactions. It …
The comparison of Figure 8a and Figure 8c well illustrates the effects of these interactions. It …
Modulation of beta-amyloid aggregation using ascorbic acid
… interaction with Asp23 and Lys28, resulting … monomer strands are arranged to maximize
hydrophobic interactions [40,46]. These conformational changes are stabilized by the salt bridge …
hydrophobic interactions [40,46]. These conformational changes are stabilized by the salt bridge …
Unveiling the inhibitory mechanism of peptidomimetic inhibitor against Aβ42 aggregation and protofibril disaggregation by molecular dynamics
R Kaur, RK Saini, P Singh, B Goyal - Journal of Molecular Liquids, 2021 - Elsevier
… conformation of Aβ 42 monomer. C1 destabilized the salt bridge interaction between Asp23
and Lys28 … –C1 complex was determined to check the effect of C1 on Aβ 42 monomer …
and Lys28 … –C1 complex was determined to check the effect of C1 on Aβ 42 monomer …