Computational studies of the disulfide-bond role in proteins.
2019/35/D/ST4/03156
Keywords
Descriptors
- ST4_004: Chemia teoretyczna i obliczeniowa
- ST4_001: Chemia fizyczna, fizyka chemiczna
- ST4_003: Struktura i architektura molekularna
Panel
ST4 – Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development
Host institution
Instytut Fizyki PAN
Voivodeship: mazowieckie
Principal investigator (from the host institution)
Number of co-investigators in the project: 3
Call
SONATA 15 – announced on 2019-09-16
- Amount awarded
- 399 420 PLN
- Project start date
- 2020-06-10
- Project end date
- 2024-06-09
- Project duration
- 48 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.
Information in the final report
Publication in academic press/journals (6)
-
Multilayered Computational Framework for Designing Peptide Inhibitors of HVEM-LIGHT Interaction
- Authors:
- Piotr Ciura, Pamela Smardz, Marta Spodzieja, Adam K. Sieradzan, and Pawel Krupa
- Academic press:
- Journal of Physical Chemistry B (year: 2024, volume: 1, pages: 1), Publisher: ACS
- Status:
- Published
- DOI:
- 10.1021/acs.jpcb.4c02255 – link to the publication
-
Why does the herpes simplex 1 virus-encoded UL49.5 protein fail to inhibit the TAP-dependent antigen presentation?
- Authors:
- N Karska, I Zhukov, AD Lipińska, S Rodziewicz-Motowidło, P Krupa
- Academic press:
- Biochimica et Biophysica Acta (BBA) - Biomembranes (year: 2023, volume: 1865, pages: 184200), Publisher: Elsevier
- Status:
- Published
- DOI:
- 10.1016/j.bbamem.2023.184200 – link to the publication
-
Integrating Explicit and Implicit Fullerene Models into UNRES Force Field for Protein Interaction Studies
- Authors:
- Natalia H Rogoża, Magdalena A Krupa, Pawel Krupa*, Adam K Sieradzan
- Academic press:
- Molecules (year: 2024, volume: 29, pages: 1919), Publisher: MDPI
- Status:
- Published
- DOI:
- 10.3390/molecules29091919 – link to the publication
-
Amyloid-β Tetramers and Divalent Cations at the Membrane/Water Interface: Simple Models Support a Functional Role
- Authors:
- P. Krupa, G. La Penna, M.S. Li
- Academic press:
- International Journal of Molecular Sciences (year: 2023, volume: 24, pages: 12698), Publisher: MDPI
- Status:
- Published
- DOI:
- 10.3390/ijms241612698 – link to the publication
-
Mechanical Stability of Ribonuclease A Heavily Depends on the Redox Environment
- Authors:
- Pamela Smardz, Adam K. Sieradzan, Paweł Krupa
- Academic press:
- J. Phys. Chem. B (year: 2022, volume: J. Phys. Chem. B 2022, 126, 33, 6240–6249, pages: 6240–6249), Publisher: ACS Publications
- Status:
- Published
- DOI:
- 10.1021/acs.jpcb.2c04718 – link to the publication
-
A Practical Guide to All-Atom and Coarse-Grained Molecular Dynamics Simulations Using Amber and Gromacs: A Case Study of Disulfide-Bond Impact on the Intrinsically Disordered Amyloid Beta
- Authors:
- Pamela Smardz, Midhun Mohan Anila, Paweł Rogowski, Mai Suan Li, Bartosz Różycki, Pawel Krupa
- Academic press:
- International Journal of Molecular Sciences (year: 2024, volume: 25, pages: 6698), Publisher: MDPI
- Status:
- Published
- DOI:
- 10.3390/ijms25126698 – link to the publication
Book publications / chapters in book publications (1)
-
Free-Docking and Template-Based Docking: Physics Versus Knowledge-Based Docking
- Authors:
- Magdalena A. Krupa, Paweł Krupa
- Book:
- Protein-Protein Docking (Part of the book series: Methods in Molecular Biology (MIMB, volume 2780)) (year: 2024, volume: 2780, pages: 27-41), Publisher: Humana New York, NY (Springer Protocols)
- Status:
- Published
- DOI:
- 10.1007/978-1-0716-3985-6_3 – link to the publication