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Published in 2018 at "Protein Science"
DOI: 10.1002/pro.3313
Abstract: The Rosetta molecular modeling software package provides a large number of experimentally validated tools for modeling and designing proteins, nucleic acids, and other biopolymers, with new protocols being added continually. While freely available to academic…
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Keywords:
molecular modeling;
rosetta protocols;
rosetta;
server ... See more keywords
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Published in 2020 at "Planetary and Space Science"
DOI: 10.1016/j.pss.2019.104825
Abstract: Abstract The Cometary Secondary Ion Mass Analyzer (COSIMA) onboard ESA’s Rosetta orbiter has revealed that dust particles in the coma of comet 67P/Churyumov-Gerasimenko are aggregates of small grains. We study the morphological, elastic, and electric…
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Keywords:
chemistry;
dust aggregates;
comet 67p;
dust ... See more keywords
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Published in 2023 at "Journal of Chemical Information and Modeling"
DOI: 10.1021/acs.jcim.2c01083
Abstract: Thermostability enhancement is a fundamental aspect of protein engineering as a biocatalyst’s half-life is key for its industrial and biotechnological application, particularly at high temperatures and under harsh conditions. Thermostability changes upon mutation originate from…
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Keywords:
accurate prediction;
rosetta;
using alphafold;
prediction ... See more keywords
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Published in 2018 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.8b00060
Abstract: We have developed a set of protocols in the molecular modeling program Rosetta for performing requirement-driven protein design. First, the user specifies a set of structural features that need to be present in the designed…
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Keywords:
protein;
driven protein;
modeling program;
requirement driven ... See more keywords
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Published in 2021 at "Scientific Reports"
DOI: 10.1038/s41598-021-85259-6
Abstract: Horizontal gene transfer (HGT), the movement of heritable materials between distantly related organisms, is crucial in eukaryotic evolution. However, the scale of HGT in choanoflagellates, the closest unicellular relatives of metazoans, and its possible roles…
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Keywords:
choanoflagellate salpingoeca;
salpingoeca rosetta;
rosetta;
gene transfer ... See more keywords
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Published in 2018 at "Astronomy and Astrophysics"
DOI: 10.1051/0004-6361/201832881
Abstract: Context. The Rosetta spacecraft provided us with a unique opportunity to study comet 67P/Churyumov-Gerasimenko from a close perspective and over a two-year time period. Comet 67P is a weakly active comet. It was therefore unexpected…
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Keywords:
rosetta mission;
source;
comet 67p;
ion ... See more keywords
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Published in 2017 at "Monthly Notices of the Royal Astronomical Society"
DOI: 10.1093/mnras/stx1491
Abstract: Rosetta has followed comet 67P from low activity at more than 3.6 au heliocentric distance to high activity at perihelion (1.24 au) and then out again. We provide a general overview of the evolutio ...
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Keywords:
ion environment;
67p rosetta;
evolution ion;
comet 67p ... See more keywords
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Published in 2017 at "PLoS Computational Biology"
DOI: 10.1371/journal.pcbi.1005600
Abstract: Computational protein design (CPD) is a powerful technique to engineer existing proteins or to design novel ones that display desired properties. Rosetta is a software suite including algorithms for computational modeling and analysis of protein…
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Keywords:
state;
protein;
multi state;
rosetta ... See more keywords
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Published in 2021 at "PLoS Computational Biology"
DOI: 10.1371/journal.pcbi.1008568
Abstract: Computational protein design has the ambitious goal of crafting novel proteins that address challenges in biology and medicine. To overcome these challenges, the computational protein modeling suite Rosetta has been tailored to address various protein…
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Keywords:
rosetta design;
protein function;
biology;
rosetta ... See more keywords
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Published in 2022 at "PLoS ONE"
DOI: 10.1371/journal.pone.0269072
Abstract: Water molecules at the protein-small molecule interface often form hydrogen bonds with both the small molecule ligand and the protein, affecting the structural integrity and energetics of a binding event. The inclusion of these ‘bridging…
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Keywords:
explicit interface;
ligand docking;
water;
rosetta ... See more keywords
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Published in 2022 at "Current Issues in Molecular Biology"
DOI: 10.3390/cimb44060174
Abstract: The global spread of multi- and pan-resistant bacteria has triggered research to identify novel strategies to fight these pathogens, such as antimicrobial peptides and, more recently, bacteriophages. In a proof-of-concept study, we have genetically modified…
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Keywords:
t7select phage;
apidaecin;
api802 api806;
coli rosetta ... See more keywords