4 papers
Computational design of intrinsically disordered proteins
Giulio Tesei, Francesco Pesce, Kresten Lindorff-Larsen
Protein design has the potential to revolutionize biotechnology and medicine. While most efforts have focused on proteins with well-defined structures, increased recognition of the…
Towards a Unified Framework for Determining Conformational Ensembles of Disordered Proteins
Hamidreza Ghafouri, Pavel KadeÅávek, Ana M Melo +23
Disordered proteins play essential roles in myriad cellular processes, yet their structural characterization remains a major challenge due to their dynamic and heterogeneous nature…
Software package for simulations using the coarse-grained CALVADOS model
Sören von Bülow, Ikki Yasuda, Fan Cao +6
We present the CALVADOS package for performing simulations of biomolecules using OpenMM and the coarse-grained CALVADOS model. The package makes it easy to run simulations using th…
Machine learning methods to study sequence-ensemble-function relationships in disordered proteins
Sören von Bülow, Giulio Tesei, Kresten Lindorff-Larsen
Recent years have seen tremendous developments in the use of machine learning models to link amino acid sequence, structure and function of folded proteins. These methods are, howe…