Exploring the folding landscape of leptin: Insights into threading pathways
The discovery of new protein topologies with entanglements and loop-crossings have
shown the impact of local amino acid arrangement and global three-dimensional structures …
shown the impact of local amino acid arrangement and global three-dimensional structures …
Helical Content Correlations and Hydration Structures of the Folding Ensemble of the B Domain of Protein A
AF Pereira, L Martínez - Journal of Chemical Information and …, 2024 - ACS Publications
The B domain of protein A (BdpA), a small three-helix bundle, folds on a time scale of a few
microseconds with heterogeneous native and unfolded states. It is widely used as a model …
microseconds with heterogeneous native and unfolded states. It is widely used as a model …
ELViM: Exploring Biomolecular Energy Landscapes through Multidimensional Visualization
Molecular dynamics (MD) simulations provide a powerful means of exploring the dynamic
behavior of biomolecular systems at the atomic level. However, analyzing the vast data sets …
behavior of biomolecular systems at the atomic level. However, analyzing the vast data sets …
ELViM: Understanding Molecular Energy Landscape
RG Viegas, IBS Martins, MN Sanches… - bioRxiv, 2024 - biorxiv.org
Molecular dynamics (MD) simulations provide a powerful means to explore the dynamic
behavior of biomolecular systems at the atomic level. However, analyzing the vast datasets …
behavior of biomolecular systems at the atomic level. However, analyzing the vast datasets …