Protein Folding Free Energy Landscape along the Committor - the Optimal Folding Coordinate

Recent advances in simulation and experiment have led to dramatic increases in the quantity and complexity of produced data, which makes the development of automated analysis tools very important. A powerful approach to analyze dynamics contained in such data sets is to describe/approximate it by di...

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Veröffentlicht in:	Journal of chemical theory and computation 2018-07, Vol.14 (7), p.3418-3427
1. Verfasser:	Krivov, Sergei V
Format:	Artikel
Sprache:	eng
Schlagworte:	Adaptive systems Computer simulation Diffusion Energy Equilibrium Folding Free energy Optimization Protein folding Proteins
Online-Zugang:	Volltext
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