Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

Equipment

Delete all

Interactions of amyloid beta peptides with metal ions and lipid membranes: Insights from lattice and all-atom simulations

2015/19/B/ST4/02721

Keywords:

protein aggregation amyloid beta peptides oligomer copper ion Cu(II) calcium ion Ca(II) lipid membrane Alzheimer's disease all-atom simulations lattice model force field

Descriptors:

  • ST4_15: Colloid chemistry
  • ST4_1: Physical chemistry, chemical physics
  • ST4_7: Electrochemistry, microfluidics in chemistry, sensors

Panel:

ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development

Host institution :

Instytut Fizyki Polskiej Akademii Nauk

woj. mazowieckie

Other projects carried out by the institution 

Principal investigator (from the host institution):

prof. Mai Li 

Number of co-investigators in the project: 6

Call: OPUS 10 - announced on 2015-09-15

Amount awarded: 395 200 PLN

Project start date (Y-m-d): 2016-06-10

Project end date (Y-m-d): 2020-04-09

Project duration:: 46 months (the same as in the proposal)

Project status: Project settled

Project description

Download the project description in a pdf file

Note - project descriptions were prepared by the authors of the applications themselves and placed in the system in an unchanged form.

Equipment purchased [PL]

  1. Stacja robocza Quantum TXR433-0064R (20 000 PLN)
  2. Laptop (5 000 PLN)
  3. Stacja robocza.
  4. Oprogramowanie (licencja MOLP) (359 PLN)

Information in the final report

  • Publication in academic press/journals (11)
  1. Aggregation rate of amyloid beta peptide is controlled by beta-content in monomeric state
    Authors:
    Tran Thi Minh Thu, Nguyen Truong Co, Ly Anh Tu and Mai Suan Li
    Academic press:
    J. Chem. Phys. (rok: 2019, tom: 150, strony: 225101), Wydawca: AIP
    Status:
    Published
    DOI:
    10.1063/1.5096379 - link to the publication
  2. Coppe Binding Induces Polymorphism in Amyloid-beta Peptide: Results of Computational Models
    Authors:
    Dinh Quoc Huy Pham, Mai Suan Li, and Giovanni La Penna
    Academic press:
    J Phys Chem B (rok: 2018, tom: 122, strony: 7243-7252), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpcb.8b03983 - link to the publication
  3. Heat-induced degradation of fibrils: Exponential vs logistic kinetics
    Authors:
    Nguyen Truong Co, Pham Dang Lan, Pham Dinh Quoc Huy, and Mai Suan Li
    Academic press:
    J. Chem. Phys. (rok: 2020, tom: 152, strony: 115101), Wydawca: AIP
    Status:
    Published
    DOI:
    10.1063/1.5144305 - link to the publication
  4. Computational Model to Unravel the Function of Amyloid‐β Peptides in Contact with a Phospholipid Membrane
    Authors:
    Dinh Quoc Huy Pham, Pawel Krupa, Hoang Linh Nguyen, Giovanni La Penna, and Mai Suan Li
    Academic press:
    J. Phys. Chem. B (rok: 2020, tom: 124, strony: 3300-3314), Wydawca: ACS
    Status:
    Published
    DOI:
    10.1021/acs.jpcb.0c00771 - link to the publication
  5. Kinetics and mechanical stability of the fibril state control fibril formation time of polypeptide chains: A computational study
    Authors:
    Maksim Kouza, Nguyen Truong Co, Mai Suan Li, Sebastian Kmiecik, Andrzej Kolinski, Andrzej Kloczkowski, and Irina Alexandra Buhimschi
    Academic press:
    J Chem Phys (rok: 2018, tom: 148, strony: 215106), Wydawca: American Physical Society
    Status:
    Published
    DOI:
    10.1063/1.5028575 - link to the publication
  6. Properties of monomeric Aβ42 probed by different sampling methods and force fields: Role of energy components
    Authors:
    Pawel Krupa , Pham Dinh Quoc Huy, and Mai Suan Li
    Academic press:
    J. Chem. Phys. (rok: 2019, tom: 151, strony: 55101), Wydawca: AIP
    Status:
    Published
    DOI:
    10.1063/1.5093184 - link to the publication
  7. Zinc Binding Promotes Greater Hydrophobicity in Alzheimer's Aβ42 peptide than Copper Binding: Molecular Dynamics and Solvation Thermodynamics Studies
    Authors:
    Subramanian Boopathi, Pham Dinh Quoc Huy, Wendy Gonzalez, Panagiotis E. Theodorakis, and Mai Suan Li
    Academic press:
    Proteins: Structure, Function and Bioinformatics (rok: 2020, tom: 88, strony: 1285-1302), Wydawca: Wiley
    Status:
    Published
    DOI:
    10.1002/prot.25901 - link to the publication
  8. Computational models explain how copper binding to amyloid-β peptide oligomers enhances oxidative pathways
    Authors:
    Giovanni La Penna and Mai Suan Li
    Academic press:
    Phys Chem Chem Phys (rok: 2019, tom: 21, strony: 8774-8784), Wydawca: ACS
    Status:
    Published
    DOI:
    10.1039/c9cp00293f - link to the publication
  9. Impact of Mutations at C-Terminus on Structures and Dynamics of Ab40 and Ab42: A Molecular Simulation Study
    Authors:
    Nguyen Hoang Linh, Tran Thi Minh Thu, Ly Anh Tu, Chin-Kun Hu, and Mai Suan Li
    Academic press:
    J. Phys. Chem B (rok: 2017, tom: 121, strony: 4341-4354), Wydawca: ACS
    Status:
    Published
    DOI:
    10.1021/acs.jpcb.6b12888 - link to the publication
  10. Structure and Physicochemical Properties of the Aβ42 Tetramer: Multiscale Molecular Dynamics Simulations
    Authors:
    Hoang Linh Nguyen, Pawel Krupa, Nguyen Minh Hai, Huynh Quang Linh, Mai Suan Li
    Academic press:
    J. Phys. Chem. B (rok: 2019, tom: 123, strony: 7253-7269), Wydawca: ACS
    Status:
    Published
    DOI:
    10.1021/acs.jpcb.9b04208 - link to the publication
  11. Towards a high-throughput modelling of copper reactivity induced by structural disorder in amyloid peptides
    Authors:
    G. La Penna and Mai Suan Li
    Academic press:
    Chemistry A- European Journal (rok: 2018, tom: 24, strony: 5259), Wydawca: Wiley
    Status:
    Published
    DOI:
    10.1002/chem.201704654 - link to the publication

O Narodowym Centrum Nauki

Finansowanie nauki

Współpraca zagraniczna

Centrum prasowe

Deklaracja dostępności
Przetwarzanie danych osobowych
Polityka cookies

Partnerzy