Mechanical and thermodynamic properties of Aβ42, Aβ40, and α-synuclein fibrils: a coarse-grained method to complement experimental studies

Adolfo B. Poma, Horacio V. Guzman, Mai Suan Li and Panagiotis E. Theodorakis
Beilstein J. Nanotechnol. 2019, 10, 500–513. https://doi.org/10.3762/bjnano.10.51

Cite the Following Article

Mechanical and thermodynamic properties of Aβ42, Aβ40, and α-synuclein fibrils: a coarse-grained method to complement experimental studies
Adolfo B. Poma, Horacio V. Guzman, Mai Suan Li and Panagiotis E. Theodorakis
Beilstein J. Nanotechnol. 2019, 10, 500–513. https://doi.org/10.3762/bjnano.10.51

How to Cite

Poma, A. B.; Guzman, H. V.; Li, M. S.; Theodorakis, P. E. Beilstein J. Nanotechnol. 2019, 10, 500–513. doi:10.3762/bjnano.10.51

Download Citation

Citation data can be downloaded as file using the "Download" button or used for copy/paste from the text window below.
Citation data in RIS format can be imported by all major citation management software, including EndNote, ProCite, RefWorks, and Zotero.

Presentation Graphic

Picture with graphical abstract, title and authors for social media postings and presentations.
Format: PNG Size: 707.1 KB Download

Citations to This Article

Up to 20 of the most recent references are displayed here.

Scholarly Works

  • Kajouri, R.; Theodorakis, P. E.; Milchev, A. Durotaxis and Antidurotaxis Droplet Motion onto Gradient Gel-Substrates. Langmuir : the ACS journal of surfaces and colloids 2024, 40, 17779–17785. doi:10.1021/acs.langmuir.4c02257
  • Martins, G. F.; Galamba, N. Wild-Type α-Synuclein Structure and Aggregation: A Comprehensive Coarse-Grained and All-Atom Molecular Dynamics Study. Journal of chemical information and modeling 2024, 64, 6115–6131. doi:10.1021/acs.jcim.4c00965
  • Varenyk, Y.; Theodorakis, P. E.; Pham, D. Q. H.; Li, M. S.; Krupa, P. Exploring Structural Insights of Aβ42 and α-Synuclein Monomers and Heterodimer: A Comparative Study Using Implicit and Explicit Solvent Simulations. The journal of physical chemistry. B 2024, 128, 4655–4669. doi:10.1021/acs.jpcb.4c00503
  • Cofas-Vargas, L.; Moreira, R.; Poblete, S.; Chwastyk, M.; Poma, A. The GōMartini Approach: Revisiting the Concept of Contact Maps and the Modelling of Protein Complexes. Acta Physica Polonica A 2024, 145, S9–S20. doi:10.12693/aphyspola.145.s9
  • Bhattacharya, S.; Thompson, D. Recent Advances in Mapping Protein Self-Assembly and Aggregation for Common Proteinopathies. Acta Physica Polonica A 2024, 145, S37–S50. doi:10.12693/aphyspola.145.s37
  • Kajouri, R.; Theodorakis, P. E.; Židek, J.; Milchev, A. Antidurotaxis Droplet Motion onto Gradient Brush Substrates. Langmuir : the ACS journal of surfaces and colloids 2023, 39, 15285–15296. doi:10.1021/acs.langmuir.3c01999
  • Zhao, N.; Zhang, Q.; Yu, F.; Yao, X.; Liu, H. The α-Synuclein Monomer May Have Different Misfolding Mechanisms in the Induction of α-Synuclein Fibrils with Different Polymorphs. Biomolecules 2023, 13, 682. doi:10.3390/biom13040682
  • Gomes, P. S. F. C.; Forrester, M.; Pace, M.; Gomes, D. E. B.; Bernardi, R. C. May the force be with you: The role of hyper-mechanostability of the bone sialoprotein binding protein during early stages of Staphylococci infections. Frontiers in chemistry 2023, 11, 1107427. doi:10.3389/fchem.2023.1107427
  • Gomes, P. S. F. C.; Forrester, M.; Pace, M.; Gomes, D. E. B.; Bernardi, R. C. May the force be with you: the role of hyper-mechanostability of the bone sialoprotein binding protein during early stages of Staphylococci infections. Cold Spring Harbor Laboratory 2022. doi:10.1101/2022.12.09.519785
  • Yasar, F.; Ray, A. J.; Hansmann, U. H. E. Resolution exchange with tunneling for enhanced sampling of protein landscapes. Physical review. E 2022, 106, 015302. doi:10.1103/physreve.106.015302
  • Moreira, R. A.; Baker, J. L.; Guzman, H. V.; Poma, A. B. Assessing the Stability of Biological Fibrils by Molecular-Scale Simulations. Methods in molecular biology (Clifton, N.J.) 2022, 2340, 357–378. doi:10.1007/978-1-0716-1546-1_16
  • Liu, Z.; Moreira, R. A.; Dujmović, A.; Liu, H.; Yang, B.; Poma, A. B.; Nash, M. A. Mapping Mechanostable Pulling Geometries of a Therapeutic Anticalin/CTLA-4 Protein Complex. Nano letters 2021, 22, 179–187. doi:10.1021/acs.nanolett.1c03584
  • Das, A. Systematic Search for a Predictor for the Clinical Observables of Alzheimer's Disease. The journal of physical chemistry. B 2021, 125, 12177–12186. doi:10.1021/acs.jpcb.1c06725
  • Boopathi, S.; Poma, A. B.; Garduño-Juárez, R. An Overview of Several Inhibitors for Alzheimer's Disease: Characterization and Failure. International journal of molecular sciences 2021, 22, 10798. doi:10.3390/ijms221910798
  • Lu, L.; Yao, Q.-y.; Ruan, S.-S.; Hu, J.-W.; Long, W.-j.; Dai, W.-Z.; Ma, T.; Zhu, X.-C. Explore the role of CR1 genetic variants in late-onset Alzheimer's disease susceptibility. Psychiatric genetics 2021, 31, 216–229. doi:10.1097/ypg.0000000000000291
  • Poma, A. B.; Thu, T. T. M.; Tri, L. T. M.; Nguyen, H. L.; Li, M. S. Nanomechanical Stability of Aβ Tetramers and Fibril-like Structures: Molecular Dynamics Simulations. The journal of physical chemistry. B 2021, 125, 7628–7637. doi:10.1021/acs.jpcb.1c02322
  • Morel, B.; Carrasco-Jiménez, M. P.; Jurado, S.; Conejero-Lara, F. Rapid Conversion of Amyloid-Beta 1-40 Oligomers to Mature Fibrils through a Self-Catalytic Bimolecular Process. International journal of molecular sciences 2021, 22, 6370. doi:10.3390/ijms22126370
  • Urban, A. S.; Pavlov, K. V.; Kamynina, A. V.; Okhrimenko, I.; Arseniev, A. S.; Bocharov, E. V. Structural Studies Providing Insights into Production and Conformational Behavior of Amyloid-β Peptide Associated with Alzheimer's Disease Development. Molecules (Basel, Switzerland) 2021, 26, 2897. doi:10.3390/molecules26102897
  • Ziaunys, M.; Sakalauskas, A.; Mikalauskaite, K.; Snieckute, R.; Smirnovas, V. Temperature-Dependent Structural Variability of Prion Protein Amyloid Fibrils. International journal of molecular sciences 2021, 22, 5075. doi:10.3390/ijms22105075
  • Chatani, E.; Yuzu, K.; Ohhashi, Y.; Goto, Y. Current Understanding of the Structure, Stability and Dynamic Properties of Amyloid Fibrils. International journal of molecular sciences 2021, 22, 4349. doi:10.3390/ijms22094349
Other Beilstein-Institut Open Science Activities