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Ministry points: Help
| Year | Points | List |
|---|---|---|
| Year 2024 | 100 | Ministry scored journals list 2024 |
| Year | Points | List |
|---|---|---|
| 2024 | 100 | Ministry scored journals list 2024 |
| 2023 | 100 | Ministry Scored Journals List |
| 2022 | 100 | Ministry Scored Journals List 2019-2022 |
| 2021 | 100 | Ministry Scored Journals List 2019-2022 |
| 2020 | 100 | Ministry Scored Journals List 2019-2022 |
| 2019 | 100 | Ministry Scored Journals List 2019-2022 |
| 2018 | 35 | A |
| 2017 | 35 | A |
| 2016 | 35 | A |
| 2015 | 35 | A |
| 2014 | 35 | A |
| 2013 | 35 | A |
| 2012 | 40 | A |
| 2011 | 40 | A |
| 2010 | 32 | A |
Model:
Points CiteScore:
| Year | Points |
|---|---|
| Year 2023 | 6.6 |
| Year | Points |
|---|---|
| 2023 | 6.6 |
| 2022 | 6.8 |
| 2021 | 6 |
| 2020 | 5.4 |
| 2019 | 5.9 |
| 2018 | 5.8 |
| 2017 | 5.8 |
| 2016 | 6.7 |
| 2015 | 6.7 |
| 2014 | 7.3 |
| 2013 | 7.5 |
| 2012 | 7.8 |
| 2011 | 7 |
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Papers published in journal
Filters
total: 10
Catalog Journals
Year 2023
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Long‐time scale simulations of virus‐like particles from three human‐norovirus strains
PublicationThe dynamics of the virus like particles (VLPs) corresponding to the GII.4 Houston, GII.2 SMV, and GI.1 Norwalk strains of human noroviruses (HuNoV) that cause gastroenteritis was investigated by means of long-time (about 30 μs in the laboratory timescale) molecular dynamics simulations with the coarse-grained UNRES force field. The main motion of VLP units turned out to be the bending at the junction between the P1 subdomain (that...
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Optimization of parallel implementation of UNRES package for coarse‐grained simulations to treat large proteins
PublicationWe report major algorithmic improvements of the UNRES package for physics-based coarse-grained simulations of proteins. These include (i) introduction of interaction lists to optimize computations, (ii) transforming the inertia matrix to a pentadiagonal form to reduce computing and memory requirements, (iii) removing explicit angles and dihedral angles from energy expressions and recoding the most time-consuming energy/force terms...
Year 2022
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A coarse‐grained approach to NMR ‐data‐assisted modeling of protein structures
PublicationThe ESCASA algorithm for analytical estimation of proton positions from coarse-grained geometry developed in our recent work has been implemented in modeling protein structures with the highly coarse-grained UNRES model of polypeptide chains (two sites per residue) and nuclear magnetic resonance (NMR) data. A penalty function with the shape of intersecting gorges was applied to treat ambiguous distance restraints, which automatically...
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Explicit solvent repulsive scaling replica exchange molecular dynamics ( RS‐REMD ) in molecular modeling of protein‐glycosaminoglycan complexes
PublicationGlycosaminoglcyans (GAGs), linear anionic periodic polysaccharides, are crucial for many biologically relevant functions in the extracellular matrix. By interacting with proteins GAGs mediate processes such as cancer development, cell proliferation and the onset of neurodegenerative diseases. Despite this eminent importance of GAGs, they still represent a limited focus for the computational community in comparison to other classes...
Year 2021
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ESCASA : Analytical estimation of atomic coordinates from coarse‐grained geometry for nuclear‐magnetic‐resonance ‐assisted protein structure modeling. I. Backbone and Hβ protons
PublicationA method for the estimation of coordinates of atoms in proteins from coarse-grained geometry by simple analytical formulas (ESCASA), for use in nuclear-magnetic-resonance (NMR) data-assisted coarse-grained simulations of proteins is proposed. In this paper, the formulas for the backbone Hα and amide (HN) protons, and the side-chain Hβ protons, given the Cα-trace, have been derived and parameterized, by using the interproton distances...
Year 2017
Year 2006
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On the joint time-frequency characteristics of chemical oscillations
PublicationZaprezentowano rezultaty analizy czasowo-częstotliwościowej rejestrów potencjałowych oscylacyjnej reakcji Biełousowa-Żabotyńskiego (BŻ). Wybraną reprezentację czasowo-częstotliwościową w postaci algorytmu STFT zastosowano do analizy typowych przebiegów reakcji BŻ, prowadzonej w układzie zamkniętym. Zaprezentowano spektrogramy STFT ukazujące czasowo-częstotliwościową strukturę oscylacji regularnych, mieszanych i chaotycznych. Na...
Year 2005
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An efficient molecular docking using conformational space annealing
Publication -
Protein structure prediction with the UNRES force-field using Replica-Exchange Monte Carlo-with-Minimization; Comparison with MCM, CSA, and CFMC
Publication
Year 2002
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