Multiscale geometric modeling of macromolecules. I: Cartesian representation
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Biochemistry, molecular biology (92C40) Biomedical imaging and signal processing (92C55) Computer-aided design (modeling of curves and surfaces) (65D17) Finite difference methods for initial value and initial-boundary value problems involving PDEs (65M06) Computational methods for problems pertaining to biology (92-08)
Recommendations
- scientific article; zbMATH DE number 1501068
- Methods for macromolecular modeling \((M^3)\): assessment of progress and future perspectives
- Modeling macromolecular complexes: a journey across scales
- Geometric models for secondary structures in proteins
- Multiscale Graph-Theoretic Modeling of Biomolecular Structures
- Geometric and electrostatic modeling using molecular rigidity functions
- Quality Tetrahedral Mesh Generation for Macromolecules
- Geometry and topology for modeling biomolecular surfaces
- Distance geometry algorithms in molecular modelling of polymer and composite systems.
- Geometric and computational aspects of polymer reconfiguration
Cites work
- scientific article; zbMATH DE number 490080 (Why is no real title available?)
- A fast solver for a nonlocal dielectric continuum model
- A general framework for low level vision
- A level set formulation for Willmore flow
- ADI schemes for higher-order nonlinear diffusion equations.
- Biomolecular surface construction by PDE transform
- Curvature Measures
- Differential geometry based multiscale models
- Differential geometry based solvation model II: Lagrangian formulation
- Differential geometry based solvation model. I: Eulerian formulation
- Discrete surface modelling using partial differential equations
- Evolution, implementation, and application of level set and fast marching methods for advancing fronts
- Fronts propagating with curvature-dependent speed: Algorithms based on Hamilton-Jacobi formulations
- Geometric and potential driving formation and evolution of biomolecular surfaces
- High order matched interface and boundary method for elliptic equations with discontinuous coefficients and singular sources
- High order matched interface and boundary methods for the Helmholtz equation in media with arbitrarily curved interfaces
- Image sharpening by flows based on triple well potentials
- Level set methods: An overview and some recent results
- Mode decomposition evolution equations
- Multiscale molecular dynamics using the matched interface and boundary method
- Noise removal using fourth-order partial differential equation with applications to medical magnetic resonance images in space and time
- Nonlinear total variation based noise removal algorithms
- On the fictitious-domain and interpolation formulations of the matched interface and boundary (MIB) method
- Optimal approximations by piecewise smooth functions and associated variational problems
- Partial differential equation transform -- variational formulation and Fourier analysis
- Surface smoothing and quality improvement of quadrilateral/hexahedral meshes with geometric flow
- The Willmore flow near spheres.
- Three-dimensional matched interface and boundary (MIB) method for treating geometric singularities
- Variational multiscale models for charge transport
Cited in
(14)- scientific article; zbMATH DE number 6875040 (Why is no real title available?)
- Geometric and electrostatic modeling using molecular rigidity functions
- Model the solvent-excluded surface of 3D protein molecular structures using geometric PDE-based level-set method
- Differential geometry based solvation model II: Lagrangian formulation
- Evolutionary de Rham-Hodge method
- Visual analysis of biomolecular surfaces
- Solving elliptic interface problems with jump conditions on Cartesian grids
- Molecular Geometry and Molecular Graphics: Natta’s Polypropylene and Beyond
- Object-oriented persistent homology
- The de Rham-Hodge analysis and modeling of biomolecules
- Geometric and potential driving formation and evolution of biomolecular surfaces
- A fast variational method for the construction of resolution adaptive \(C^2\)-smooth molecular surfaces
- Biomolecular surface construction by PDE transform
- Geometry and topology for modeling biomolecular surfaces
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