#protein structure — Tuesday, April 07, 2026 (3 items)
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ONEST: a web-based platform for the rapid and robust analysis of protein excited states through CEST spectroscopy.
(academic.oup.com)
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Bioinformatics 2026-04-07 | #modeling #spectroscopy #protein structure #nmr #conformational dynamics | |
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MAISNet: a multi-species integrated graph neural network for acetylcholinesterase inhibitor screening.
(academic.oup.com)
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Bioinformatics 2026-04-07 | #neurodegeneration #machine learning #protein structure #molecular modeling | |
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MDCompress: better, faster compression of molecular dynamics simulation trajectories.
(academic.oup.com)
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Bioinformatics 2026-04-07 | #bioinformatics #protein structure #simulation #compression |