Aug 2026
Can SMILES be fragmented into a concatenable ordered sequence of retrosynthetically interesting string block?
E. Reboul, H. Prabakaran, J. Waldispühl et al.
· bioRxiv · 0 citations
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Jul 2026
Deep-learning predictions of biomolecular structures : persistent limitations and new horizons extended by explicit ion addition
Modelling sequences both “dry” and in the presence of explicit potassium cations are suggested as a simple, practical way to sample alternative conformations and to expose disordered regions that current predictors tend to over-fold.
Jules Marien, Sujith Sritharan, Beatrice Caviglia et al.
· bioRxiv · 0 citations