Article

DBFOLD: An efficient algorithm for computing folding pathways of complex proteins

2020-09-10

Abstract excerpt

Atomistic simulations can provide valuable, experimentally-verifiable insights into protein folding mechanisms, but existing ab initio simulation methods are restricted to only the smallest proteins due to severe computational speed limits. The folding of larger proteins has been studied using native-centric potential functions, but such models omit the potentially crucial role of non-native interactions.Here, we...

Topics

Open a Topic to create a Post that cites this publication.

Identifiers and source

Literature Corpus work: d106f53c-2707-58ce-b62a-271078853070
DOI: 10.1101/2020.09.09.289116

Open publication

Related research

Semantic proximity does not establish scientific evidence.

Click a neighbor to travelStep 1 · 12 closest

DBFOLD: An efficient algorithm for computing folding pathways of complex proteinsDOI 10.1101/2020.09.09.289116Read

Predicting protein folding pathways at the mesoscopic level based on native interactions between secondary structure elements.Semantic proximity Read

Predicting Protein Folding Dynamics Using Sequence Information.Semantic proximity Read

Energy landscapes for protein foldingSemantic proximity Read

Microscopic interpretation of folding ϕ-values using the transition path ensemble.Semantic proximity Read

Principles of protein folding--a perspective from simple exact models.Semantic proximity Read

An expanded view of the protein folding landscape of PDZ domains.Semantic proximity Read

Smooth functional transition along a mutational pathway with an abrupt protein fold switch.Semantic proximity Read

Characterization of folding mechanisms of Trp-cage and WW-domain by network analysis of simulations with a hybrid-resolution model.Semantic proximity Read

Geofold: topology-based protein unfolding pathways capture the effects of engineered disulfides on kinetic stability.Semantic proximity Read

<i>De Novo</i> Protein Fold Design Through Sequence-Independent Fragment Assembly SimulationsSemantic proximity Read

Atomistic folding simulations of the five-helix bundle protein λ(6−85).Semantic proximity Read

Approximating conformational Boltzmann distributions with AlphaFold2 predictionsSemantic proximity Read