An Elastic Riemannian Framework for Shape of Curves and Tree-Like Structures

Author(s):  
Adam Duncan ◽  
Zhengwu Zhang ◽  
Anuj Srivastava
Keyword(s):  
NeuroImage ◽  
2009 ◽  
Vol 47 ◽  
pp. S123
Author(s):  
SH Joshi ◽  
KL Narr ◽  
RP Woods ◽  
OR Phillips ◽  
KH Nuechterlein ◽  
...  

2021 ◽  
Author(s):  
Curtis Goolsby ◽  
Ashkan Fakharzadeh ◽  
Mahmoud Moradi

AbstractWe have formulated a Riemannian framework for describing the geometry of collective variable spaces of biomolecules within the context of molecular dynamics (MD) simulations. The formalism provides a theoretical framework to develop enhanced sampling techniques, path-finding algorithms, and transition rate estimators consistent with a Riemannian treatment of the collective variable space, where the quantities of interest such as the potential of mean force (PMF) and minimum free energy path (MFEP) remain invariant under coordinate transformation. Specific algorithms within this framework are discussed such as the Riemannian umbrella sampling, the Riemannian string method, and a Riemannian-Bayesian estimator of free energy and diffusion constant, which can be used to estimate the transition rate along an MFEP.


Author(s):  
Boris A. Gutman ◽  
P. Thomas Fletcher ◽  
M. Jorge Cardoso ◽  
Greg M. Fleishman ◽  
Marco Lorenzi ◽  
...  

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