Wyszukiwarka
dr hab. inż. Emilia Lubecka
Zatrudnienie
- Profesor uczelni w Katedra Systemów Geoinformatycznych
Słowa kluczowe Pomoc
- coarse graining
- alphafold, blind prediction, capri, casp, deep learning, protein assemblies, protein complexes, protein-protein interaction
- ambiguous restraints, coarse-grained models, nmr-assisted protein-structure modeling, unres
- blind prediction
- capri
- casp
- casp, covid, ema, model accuracy, protein structure prediction, sars-cov-2
- coarse graining, data-assisted molecular modeling, nuclear magnetic resonance, proteins
- coarse graining, molecular dynamics, openmp, parallel algorithms, unres
- conformational search
Media społecznościowe
Kontakt
- emilia.lubecka@pg.edu.pl
Profesor uczelni
- Miejsce pracy
-
Budynek A Elektroniki
pokój EA 329 otwiera się w nowej karcie - Telefon
- 583471811
- emilubec@eti.pg.eda.pl
Wybrane publikacje
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Prediction of protein assemblies, the next frontier: The CASP14‐CAPRI experiment
We present the results for CAPRI Round 50, the 4th joint CASP-CAPRI protein assembly prediction challenge. The Round comprised a total of 12 targets, including 6 dimers, 3 trimers, and 3 higher-order oligomers. Four of these were easy targets, for which good structural templates were available either for the full assembly, or for the main interfaces (of the higher-order oligomers). Eight were difficult targets for which only distantly...
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Impact of AlphaFold on structure prediction of protein complexes: The CASP15‐CAPRI experiment
We present the results for CAPRI Round 54, the 5th joint CASP-CAPRI protein assembly prediction challenge. The Round offered 37 targets, including 14 homodimers, 3 homo-trimers, 13 heterodimers including 3 antibody–antigen complexes, and 7 large assemblies. On average 70 CASP and CAPRI predictor groups, including more than 20 automatics servers, submitted models for each target. A total of 21 941 models submitted by these groups...
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Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment
The 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...
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