ArticleThe Journal of chemical physics2009
The multiscale coarse-graining method. IV. Transferring coarse-grained potentials between temperatures.
Article in The Journal of chemical physics, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
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Who cites it
19 citing papers in PubMed.
- Enhanced Sampling for Efficient Learning of Coarse-Grained Machine Learning Potentials.Journal of chemical theory and computation · 2026Article
- Navigating protein landscapes with a machine-learned transferable coarse-grained model.Nature chemistry · 2025Article
- Changing Your Martini Can Still Give You a Hangover.Journal of chemical theory and computation · 2024Article
- Molecularly informed field theory for estimating critical micelle concentrations of intrinsically disordered protein surfactants.The Journal of chemical physics · 2023Article
- Coarse-Grained Modeling Using Neural Networks Trained on Structural Data.Journal of chemical theory and computation · 2023Article
- Statistical Mechanical Design Principles for Coarse-Grained Interactions across Different Conformational Free Energy Surfaces.The journal of physical chemistry letters · 2023Article
- M-Chem: a Modular Software Package for Molecular Simulation that Spans Scientific Domains.Molecular physics · 2023Article
- Bottom-up Coarse-Graining: Principles and Perspectives.Journal of chemical theory and computation · 2022Review
- Coarse-Grained Water Model Development for Accurate Dynamics and Structure Prediction.ACS omega · 2022Article
- Computer Simulations of Deep Eutectic Solvents: Challenges, Solutions, and Perspectives.International journal of molecular sciences · 2022Review
- Temperature and Phase Transferable Bottom-up Coarse-Grained Models.Journal of chemical theory and computation · 2020Article
- Understanding Missing Entropy in Coarse-Grained Systems: Addressing Issues of Representability and Transferability.The journal of physical chemistry letters · 2019Article
- Highly Coarse-Grained Representations of Transmembrane Proteins.Journal of chemical theory and computation · 2017Article
- Bayesian calibration of coarse-grained forces: Efficiently addressing transferability.The Journal of chemical physics · 2016Article
- Article
- Multiscale simulation of microbe structure and dynamics.Progress in biophysics and molecular biology · 2011Article
- A smoothly decoupled particle interface: new methods for coupling explicit and implicit solvent.The Journal of chemical physics · 2011Article
- Characterizing protein energy landscape by self-learning multiscale simulations: application to a designed β-hairpin.Biophysical journal · 2010Article
- Reference state for the generalized Yvon-Born-Green theory: application for coarse-grained model of hydrophobic hydration.The Journal of chemical physics · 2010Article
Corrections and comments
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Authors and funding
3 authors.
Funding
Abstract
This work develops a method for the construction of multiscale coarse-grained (MS-CG) force fields at different temperatures based on available atomistic data at a given reference temperature. The validity of this theory is demonstrated numerically by applying it to construct MS-CG models of the Lennard-Jones liquid and simple point charge water model systems.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.