Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

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Molecular origins of mechanisms governing biological functions of enzymes with buried actives sites: substrate inhibition, cooperativity, and interference between transport of substrates and products.

2017/26/E/NZ1/00548

Keywords:

tunnels dynamics molecular transport enzyme function

Descriptors:

  • NZ1_3: Biophysics
  • NZ1_4: Structural biology
  • NZ2_7: Bioinformatics

Panel:

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

Host institution :

Uniwersytet im. Adama Mickiewicza w Poznaniu, Wydział Biologii

woj. wielkopolskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr hab. Jan Brezovsky 

Number of co-investigators in the project: 6

Call: SONATA BIS 7 - announced on 2017-06-14

Amount awarded: 2 326 000 PLN

Project start date (Y-m-d): 2018-07-23

Project end date (Y-m-d): 2025-07-22

Project duration:: 60 months (the same as in the proposal)

Project status: Pending project

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.

Information in the final report

  • Publication in academic press/journals (3)
  • Articles in post-conference publications (2)
  1. TransportTools: a library for high-throughput analyses of internal voids in biomolecules and ligand transport through them
    Authors:
    Brezovsky J, Thirunavukarasu AS, Surpeta B, Sequeiros-Borja CE, Mandal N, Sarkar DK, Dongmo Foumthuim CJ, Agrawal N
    Academic press:
    Bioinformatics (rok: 2022, tom: 38, strony: 1752-1753), Wydawca: Oxford University Press
    Status:
    Published
    DOI:
    10.1093/bioinformatics/btab872 - link to the publication
  2. Dynamics, a Powerful Component of Current and Future in Silico Approaches for Protein Design and Engineering
    Authors:
    Surpeta B, Sequeiros-Borja CE, Brezovsky J
    Academic press:
    International Journal of Molecular Sciences (rok: 2020, tom: 21(8), strony: 2713), Wydawca: MDPI
    Status:
    Published
    DOI:
    10.3390/ijms21082713 - link to the publication
  3. Recent advances in user-friendly computational tools to engineer protein function
    Authors:
    Sequeiros-Borja CE, Surpeta B, Brezovsky J
    Academic press:
    Briefings in Bioinformatics (rok: 2020, tom: brak, strony: brak), Wydawca: OXFORD UNIV PRESS
    Status:
    Published
    DOI:
    10.1093/bib/bbaa150 - link to the publication
  1. Deciphering rare opening of gates in ligandtransport tunnels of enzymes using enhanced molecular dynamics simulations
    Authors:
    Mandal N, Surpeta B, Brezovsky J
    Conference:
    The Biochemistry Global Summit 25th IUBMB Congress, 46th FEBS Congress, 15th PABMB Congress (rok: 2022, ), Wydawca: FEBS Press
    Data:
    konferencja 9–14 Lipiec 2022r.
    Status:
    Published
  2. Analysis of substrate exchange between bulk solvent and buried enzyme active site via multiple molecular tunnels using high-throughput simulations
    Authors:
    Sarkar DK, Brezovsky J
    Conference:
    45th FEBS Congress, Molecules of Life: Towards New Horizons (rok: 2021, ), Wydawca: FEBS Press
    Data:
    konferencja 3-8 Lipiec
    Status:
    Published

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