19 citations · 33 across the 7 of their papers we have counts for
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q-bio.BM2023★ 7 cited
Accurate and Efficient Structural Ensemble Generation of Macrocyclic Peptides using Internal Coordinate Diffusion
Colin A. Grambow, Hayley Weir, Nathaniel L. Diamant +3
Macrocyclic peptides are an emerging therapeutic modality, yet computational approaches for accurately sampling their diverse 3D ensembles remain challenging due to their conformat…
q-bio.BM2023★ 19 cited
CREMP: Conformer-rotamer ensembles of macrocyclic peptides for machine learning
Colin A. Grambow, Hayley Weir, Christian N. Cunningham +2
Computational and machine learning approaches to model the conformational landscape of macrocyclic peptides have the potential to enable rational design and optimization. However,…