A Framework for Stochastic Optimization of Parameters for Integrative Modeling of Macromolecular Assemblies

A Framework for Stochastic Optimization of Parameters for Integrative Modeling of Macromolecular Assemblies

Integrative modeling of macromolecular assemblies requires stochastic sampling, for example, via MCMC (Markov Chain Monte Carlo), since exhaustively enumerating all structural degrees of freedom is infeasible. MCMC-based methods usually require tuning several parameters, such as the move sizes for c...

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Bibliographic Details
Main Authors: Satwik Pasani, Shruthi Viswanath
Format: Article
Language:English
Published: MDPI AG 2021-11-01
Series:Life
Subjects:
integrative modeling
molecular simulations
MCMC
stochastic sampling
derivative-free optimization
Online Access:https://www.mdpi.com/2075-1729/11/11/1183

Internet

https://www.mdpi.com/2075-1729/11/11/1183

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