1 citations · 1 across the 3 of their papers we have counts for
3 papers
physics.comp-ph2024
Iterative variational learning of committor-consistent transition pathways using artificial neural networks
Alberto Megías, Sergio Contreras Arredondo, Cheng Giuseppe Chen +3
This contribution introduces a neural-network-based approach to discover meaningful transition pathways underlying complex biomolecular transformations in coherence with the commit…
physics.bio-ph2024
Isoleucine gate blocks K+ conduction in C-type inactivation
Werner Treptow, Yichen Liu, Carlos A. Z. Bassetto +5
Many voltage-gated potassium (Kv) channels display a time-dependent phenomenon called C-type inactivation, whereby prolonged activation by voltage leads to the inhibition of ionic…
q-bio.BM2012★ 1 cited
Ion Binding Sites and their Representations by Quasichemical Reduced Models
Benoit Roux
The binding of small metal ions to complex macromolecular structures is typically dominated by strong local interactions of the ion with its nearest ligands. For this reason, it is…