Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

Equipment

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Structures of oligomers of amyloid beta peptides: Multiscale molecular simulations.

2017/27/N/NZ1/02871

Keywords:

amyloid beta oligomers molecular dynamics Alzheimer's disease all-atom and course-grained force fields

Descriptors:

  • NZ2_10: Biological systems analysis, modelling and simulation
  • ST4_4: Theoretical and computational chemistry
  • NZ1_1: Molecular biology

Panel:

NZ1 - Molecular biology, structural biology, biotechnology: molecular biology, structural biology, biotechnology

Host institution :

Instytut Fizyki Polskiej Akademii Nauk

woj. mazowieckie

Other projects carried out by the institution 

Principal investigator (from the host institution):

Dinh Quoc Huy Pham 

Number of co-investigators in the project: 3

Call: PRELUDIUM 14 - announced on 2017-09-15

Amount awarded: 113 400 PLN

Project start date (Y-m-d): 2018-07-20

Project end date (Y-m-d): 2021-07-19

Project duration:: 36 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. Magazyn danych (9 000 PLN)
  2. Karty graficzne (7 212 PLN)
  3. Program i pole siłowe Amber. (2 000 PLN)
  4. Stacja robocza z kartą graficzną (10 000 PLN)
  5. Dyski twarde (3 138 PLN)

Information in the final report

  • Publication in academic press/journals (2)
  1. Properties of monomeric Aβ42 probed by different sampling methods and force fields: Role of energy components
    Authors:
    Krupa Pawel and Pham Dinh Quoc Huy and Mai Suan Li
    Academic press:
    The Journal of chemical physics (rok: 2019, tom: 151, strony: 55101), Wydawca: AIP Publishing LLC
    Status:
    Published
    DOI:
    10.1063/1.5093184 - link to the publication
  2. Structure and Physicochemical Properties of the Aβ42 Tetramer: Multiscale Molecular Dynamics Simulations
    Authors:
    Hoang Linh Nguyen, Pawel Krupa, Nguyen Minh Hai, Huynh Quang Linh, and Mai Suan Li
    Academic press:
    The Journal of Physical Chemistry B (rok: 2019, tom: 123, strony: 7253-7269), Wydawca: ACS Publications
    Status:
    Published
    DOI:
    10.1021/acs.jpcb.9b04208 - link to the publication

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