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Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.1c01233
Abstract: RNA molecules fold as they are transcribed. Cotranscriptional folding of RNA plays a critical role in RNA functions in vivo. Present computational strategies focus on simulations where large structural changes may not be completely sampled.…
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Keywords:
folding landscape;
rna folding;
cotranscriptional folding;
rna ... See more keywords
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Published in 2022 at "Bioscience Reports"
DOI: 10.1101/2022.01.12.476064
Abstract: All caspases evolved from a common ancestor and subsequently developed into two general classes, inflammatory or apoptotic caspases. The caspase-hemoglobinase fold has been conserved throughout nearly one billion years of evolution and is utilized for…
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Keywords:
comparing folding;
folding landscapes;
landscapes evolutionarily;
folding landscape ... See more keywords
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1
Published in 2022 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms23105461
Abstract: Despite advances in experimental and computational methods, the mechanisms by which an unstructured polypeptide chain regains its unique three-dimensional structure remains one of the main puzzling questions in biology. Single-molecule techniques, ultra-fast perturbation and detection…
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Keywords:
protein folding;
max effectors;
folding landscape;
topological description ... See more keywords
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Published in 2020 at "eLife"
DOI: 10.7554/elife.61487
Abstract: Missense mutations in the p53 DNA-binding domain (DBD) contribute to half of new cancer cases annually. Here we present a thermodynamic model that quantifies and links the major pathways by which mutations inactivate p53. We…
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Keywords:
shapes folding;
cancer;
zinc shapes;
zinc ... See more keywords