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Perspective: Coarse-grained models for biomolecular systems

The Journal of chemical physics, 2013-09, Vol.139 (9), p.090901-090901

Noid, W G

2013

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Perspective: Advances, Challenges, and Insight for Predictive Coarse-Grained Models

The journal of physical chemistry. B, 2023-05, Vol.127 (19), p.4174-4207

Noid, W. G.

2023

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The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models

The Journal of chemical physics, 2008-06, Vol.128 (24), p.244114-244114-11

2008

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Energetic and entropic considerations for coarse-graining

The European physical journal. B, Condensed matter physics, 2021-07, Vol.94 (7), Article 153

2021

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The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models

The Journal of chemical physics, 2008-06, Vol.128 (24), p.244115-244115

2008

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Rigorous Progress in Coarse-Graining

Annual review of physical chemistry, 2024-01, Vol.75 (1), p.21-45

2024

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Simple Simulation Model for Exploring the Effects of Solvent and Structure on Asphaltene Aggregation

The journal of physical chemistry. B, 2019-07, Vol.123 (28), p.6111-6122

2019

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The multiscale coarse-graining method. IV. Transferring coarse-grained potentials between temperatures

The Journal of chemical physics, 2009-07, Vol.131 (2), p.024103-024103-12

2009

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A Systematic Methodology for Defining Coarse-Grained Sites in Large Biomolecules

Biophysical journal, 2008-12, Vol.95 (11), p.5073-5083

2008

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Multiscale Coarse-Graining and Structural Correlations: Connections to Liquid-State Theory

The journal of physical chemistry. B, 2007-04, Vol.111 (16), p.4116-4127

2007

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Effective force coarse-graining

Physical chemistry chemical physics : PCCP, 2009-01, Vol.11 (12), p.2002-2015

2009

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Bottom-up coarse-grained models for external fields and interfaces

The Journal of chemical physics, 2020-12, Vol.153 (22), p.224103-224103

2020

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A simple theory for interfacial properties of dilute solutions

The Journal of chemical physics, 2022-07, Vol.157 (3), p.034703-034703

2022

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Scaling behavior and local structure of ion aggregates in single-ion conductors

Soft matter, 2014-01, Vol.1 (7), p.978-989

2014

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Recovering physical potentials from a model protein databank

Proceedings of the National Academy of Sciences - PNAS, 2010-11, Vol.107 (46), p.19867-19872

2010

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Enhancement of Early Radiation Treatment Response Assessment by Mono-energetic Decomposition of Dual-Energy Computed Tomography

International journal of radiation oncology, biology, physics, 2016-10, Vol.96 (2), p.S192-S192

2016

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Extending pressure-matching to inhomogeneous systems via local-density potentials

The Journal of chemical physics, 2017-10, Vol.147 (13), p.134111-134111

2017

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Dual approach for effective potentials that accurately model structure and energetics

The Journal of chemical physics, 2019-06, Vol.150 (23), p.234107-234107

2019

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Dual-potential approach for coarse-grained implicit solvent models with accurate, internally consistent energetics and predictive transferability

The Journal of chemical physics, 2019-10, Vol.151 (16), p.164113-164113

2019

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Coarse-grained models for local density gradients

The Journal of chemical physics, 2022-01, Vol.156 (3), p.034106-034106

2022

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A temperature-dependent length-scale for transferable local density potentials

The Journal of chemical physics, 2023-08, Vol.159 (7)

2023

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Analysis of local density potentials

The Journal of chemical physics, 2019-12, Vol.151 (22), p.224106-224106

2019

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Insight into the Density-Dependence of Pair Potentials for Predictive Coarse-Grained Models

The journal of physical chemistry. B, 2024-02, Vol.128 (5), p.1298-1316

2024

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Reducing Imaging Dose and Improving Image Quality for 4D-CT Using an Iterative Reconstruction Algorithm

International journal of radiation oncology, biology, physics, 2015-11, Vol.93 (3), p.S99-S99

2015

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Systematic study of temperature and density variations in effective potentials for coarse-grained models of molecular liquids

The Journal of chemical physics, 2019-01, Vol.150 (1), p.014104-014104

2019

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Perspective: Coarse-grained models for biomolecular systems

Perspective: Advances, Challenges, and Insight for Predictive Coarse-Grained Models

The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models

Energetic and entropic considerations for coarse-graining

The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models

Rigorous Progress in Coarse-Graining

Simple Simulation Model for Exploring the Effects of Solvent and Structure on Asphaltene Aggregation

The multiscale coarse-graining method. IV. Transferring coarse-grained potentials between temperatures

A Systematic Methodology for Defining Coarse-Grained Sites in Large Biomolecules

Multiscale Coarse-Graining and Structural Correlations: Connections to Liquid-State Theory

Effective force coarse-graining

Bottom-up coarse-grained models for external fields and interfaces

A simple theory for interfacial properties of dilute solutions

Scaling behavior and local structure of ion aggregates in single-ion conductors

Recovering physical potentials from a model protein databank

Enhancement of Early Radiation Treatment Response Assessment by Mono-energetic Decomposition of Dual-Energy Computed Tomography

Extending pressure-matching to inhomogeneous systems via local-density potentials

Dual approach for effective potentials that accurately model structure and energetics

Dual-potential approach for coarse-grained implicit solvent models with accurate, internally consistent energetics and predictive transferability

Coarse-grained models for local density gradients

A temperature-dependent length-scale for transferable local density potentials

Analysis of local density potentials

Insight into the Density-Dependence of Pair Potentials for Predictive Coarse-Grained Models

Reducing Imaging Dose and Improving Image Quality for 4D-CT Using an Iterative Reconstruction Algorithm

Systematic study of temperature and density variations in effective potentials for coarse-grained models of molecular liquids

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