dr inż. Emilia Lubecka
- Assistant Professor at Department of Geoinformatics
- 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
- 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
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...
Critical Assessment of Structure Prediction (CASP) is an organization aimed at advancing the state of the art in computing protein structure from sequence. In the spring of 2020, CASP launched a community project to compute the structures of the most structurally challenging proteins coded for in the SARS-CoV-2 genome. Forty-seven research groups submitted over 3000 three-dimensional models and 700 sets of accuracy estimates on...
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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