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

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 nativ...

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Veröffentlicht in:	PLoS computational biology 2020-11, Vol.16 (11), p.e1008323
Hauptverfasser:	Bitran, Amir, Jacobs, William M, Shakhnovich, Eugene
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Amino acids Bacterial Proteins - chemistry Balancing Biology and Life Sciences Computational Biology Computer and Information Sciences Computer applications Evaluation Exchanging Folding High temperature Interactomes Intermediates Kinetics Methods Molecular dynamics Molecular Dynamics Simulation - statistics & numerical data Monte Carlo Method Monte Carlo simulation Physical sciences Protein Conformation Protein Folding Protein Unfolding Proteins Research and analysis methods Sampling Sampling methods Sampling techniques Simulation Software Structure Technology application Temperature Thermodynamics
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