Statistical Framework for Uncertainty Quantification in Computational Molecular Modeling
Author:
Affiliation:
1. Computer Science Dept., University of Texas at Austin, Austin, TX, USA
Publisher
ACM
Link
https://dl.acm.org/doi/pdf/10.1145/2975167.2975182
Reference46 articles.
1. Weighted sums of certain dependent random variables
2. An Efficient Higher-Order Fast Multipole Boundary Element Solution for Poisson–Boltzmann-Based Molecular Electrostatics
3. TexMol: interactive visual exploration of large flexible multi-component molecular complexes
4. NURBS based B-rep models for macromolecules and their properties
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1. Bayesian Active Learning for Optimization and Uncertainty Quantification in Protein Docking;Journal of Chemical Theory and Computation;2020-06-19
2. A data-driven framework for sparsity-enhanced surrogates with arbitrary mutually dependent randomness;Computer Methods in Applied Mechanics and Engineering;2019-06
3. Atomic Radius and Charge Parameter Uncertainty in Biomolecular Solvation Energy Calculations;Journal of Chemical Theory and Computation;2018-01-29
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