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Ministry points: Help
| Year | Points | List |
|---|---|---|
| Year 2024 | 70 | Ministry scored journals list 2024 |
| Year | Points | List |
|---|---|---|
| 2024 | 70 | Ministry scored journals list 2024 |
| 2023 | 70 | Ministry Scored Journals List |
| 2022 | 70 | Ministry Scored Journals List 2019-2022 |
| 2021 | 70 | Ministry Scored Journals List 2019-2022 |
| 2020 | 70 | Ministry Scored Journals List 2019-2022 |
| 2019 | 70 | Ministry Scored Journals List 2019-2022 |
| 2018 | 25 | A |
| 2017 | 25 | A |
| 2016 | 25 | A |
| 2015 | 25 | A |
| 2014 | 25 | A |
| 2013 | 25 | A |
| 2012 | 25 | A |
| 2011 | 25 | A |
| 2010 | 32 | A |
Model:
Points CiteScore:
| Year | Points |
|---|---|
| Year 2022 | 5.2 |
| Year | Points |
|---|---|
| 2022 | 5.2 |
| 2021 | 4.3 |
| 2020 | 3.9 |
| 2019 | 3.4 |
| 2018 | 3 |
| 2017 | 2.6 |
| 2016 | 3.1 |
| 2015 | 2.9 |
| 2014 | 3.2 |
| 2013 | 3.8 |
| 2012 | 3.9 |
| 2011 | 4 |
Impact Factor:
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Papers published in journal
Filters
total: 9
Catalog Journals
Year 2023
-
Atmospheric degradation mechanism of anthracene initiated by OH•: A DFT prediction
PublicationDensity functional theory (DFT) calculations at the M06-2X/def2-TZVP level have been employed to investigate the atmospheric oxidation mechanism of anthracene (ANT) initiated by HO•. Direct hydrogen atom abstraction from the ANT using HO• takes place hardly at ambient conditions while the addition of HO• to the C1, C2, and C4 sites are thermodynamically and kinetically more advantageous. The addition reactions are controlled by...
Year 2021
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Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment
PublicationThe UNited RESidue (UNRES) force field was tested in the 14th Community Wide Experiment on the Critical Assessment of Techniques for Protein Structure Prediction (CASP14), in which larger oligomeric and multimeric targets were present compared to previous editions. Three prediction modes were tested (i) ab initio (the UNRES group), (ii) contact-assisted (the UNRES- contact group), and (iii) template-assisted (the UNRES-template...
Year 2019
Year 2018
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Molecular dynamics-based model of VEGF-A and its heparin interactions
Publication -
Use of the UNRES force field in template-assisted prediction of protein structures and the refinement of server models: Test with CASP12 targets
Publication
Year 2017
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Long range molecular dynamics study of interactions of the eukaryotic glucosamine-6-phosphate synthase with fructose-6-phosphate and UDP-GlcNAc
PublicationGlucosamine-6-phosphate synthase (EC 2.6.1.16) is responsible for catalysis of the first and practically irreversible step in hexosamine metabolism. The final product of this pathway, uridine 5 diphospho Nacetyl- d-glucosamine (UDP-GlcNAc), is an essential substrate for assembly of bacterial and fungal cell walls. Moreover, the enzyme is involved in phenomenon of hexosamine induced insulin resistance in type II diabetes, which...
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Simplified AutoDock force field for hydrated binding sites
Publicationhas been extracted from the Protein Data Bank and used to test and recalibrate AutoDock force field. Since for some binding sites water molecules are crucial for bridging the receptor-ligand interactions, they have to be included in the analysis. To simplify the process of incorporating water molecules into the binding sites and make it less ambiguous, new simple water model was created. After recalibration of the force field on...
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Visualizing spatially decomposed intermolecular correlations in the infrared spectra of aprotic liquids
PublicationInfrared (IR) spectroscopy is commonly used to study intermolecular interactions in the liquid phase, including solvation phenomena. On the other hand, ab initio molecular dynamics (AIMD) simulations offer the possibility to obtain IR spectra from first principles. Surpassing the experiment, AIMD simulations can deliver additional information on the spatial intermolecular correlations underlying the IR spectrum of the liquid. Although...
Year 2012
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