Open access
Oct 2026
Enhancing simulations of disordered protein ensembles with chemical shift restraints in coarse-grained models.
With more than one third of the human proteome being structurally disordered, intrinsically disordered proteins (IDPs) are key contributors to complex cellular functions, despite their highly dynamic conformational ensembles remaining elusive to conventional techniques in structural biology. Coarse-grained (CG) simulat...
Mina Cullen, Carmen Biancaniello, Katerina Taškova et al.
· Proceedings of the National... · 0 citations