- Home
- Publications
- Publication Search
- Publication Details
Title
Coarse-graining entropy, forces, and structures
Authors
Keywords
-
Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 135, Issue 21, Pages 214101
Publisher
AIP Publishing
Online
2011-12-05
DOI
10.1063/1.3663709
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- A generalized mean field theory of coarse-graining
- (2011) Vinod Krishna et al. JOURNAL OF CHEMICAL PHYSICS
- Coarse-graining errors and numerical optimization using a relative entropy framework
- (2011) Aviel Chaimovich et al. JOURNAL OF CHEMICAL PHYSICS
- Transferable Potentials for Phase Equilibria−Coarse-Grain Description for Linear Alkanes
- (2011) Katie A. Maerzke et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Synthesis and Electronic Structure Determination ofN-Alkyl-Substituted Bis(imino)pyridine Iron Imides Exhibiting Spin Crossover Behavior
- (2011) Amanda C. Bowman et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Generalized-Yvon-Born-Green Model of Toluene
- (2011) Christopher R. Ellis et al. MACROMOLECULAR THEORY AND SIMULATIONS
- The multiscale coarse-graining method: Assessing its accuracy and introducing density dependent coarse-grain potentials
- (2010) Sergei Izvekov et al. JOURNAL OF CHEMICAL PHYSICS
- Reference state for the generalized Yvon–Born–Green theory: Application for coarse-grained model of hydrophobic hydration
- (2010) J. W. Mullinax et al. JOURNAL OF CHEMICAL PHYSICS
- The multiscale coarse-graining method. VI. Implementation of three-body coarse-grained potentials
- (2010) Luca Larini et al. JOURNAL OF CHEMICAL PHYSICS
- The multiscale coarse-graining method. V. Isothermal-isobaric ensemble
- (2010) Avisek Das et al. JOURNAL OF CHEMICAL PHYSICS
- Efficient, Regularized, and Scalable Algorithms for Multiscale Coarse-Graining
- (2010) Lanyuan Lu et al. Journal of Chemical Theory and Computation
- Relative entropy as a universal metric for multiscale errors
- (2010) Aviel Chaimovich et al. PHYSICAL REVIEW E
- Chemically accurate coarse graining of double-stranded DNA
- (2010) A. Savelyev et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Recovering physical potentials from a model protein databank
- (2010) J. W. Mullinax et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Atomic-Level Characterization of the Structural Dynamics of Proteins
- (2010) D. E. Shaw et al. SCIENCE
- Coarse-graining polymers with the MARTINI force-field: polystyrene as a benchmark case
- (2010) Giulia Rossi et al. Soft Matter
- Molecular Renormalization Group Coarse-Graining of Polymer Chains: Application to Double-Stranded DNA
- (2009) Alexey Savelyev et al. BIOPHYSICAL JOURNAL
- Comparative atomistic and coarse-grained study of water: What do we lose by coarse-graining?
- (2009) Han Wang et al. EUROPEAN PHYSICAL JOURNAL E
- Multiscale simulation of soft matter systems
- (2009) Christine Peter et al. FARADAY DISCUSSIONS
- Systematic coarse-graining of molecular models by the Newton inversion method
- (2009) Alexander Lyubartsev et al. FARADAY DISCUSSIONS
- Systematic coarse graining from structure using internal states: Application to phospholipid/cholesterol bilayer
- (2009) Teemu Murtola et al. JOURNAL OF CHEMICAL PHYSICS
- The multiscale coarse-graining method. IV. Transferring coarse-grained potentials between temperatures
- (2009) Vinod Krishna et al. JOURNAL OF CHEMICAL PHYSICS
- Extended ensemble approach for deriving transferable coarse-grained potentials
- (2009) J. W. Mullinax et al. JOURNAL OF CHEMICAL PHYSICS
- Transferable Coarse Grain Nonbonded Interaction Model for Amino Acids
- (2009) Russell DeVane et al. Journal of Chemical Theory and Computation
- Versatile Object-Oriented Toolkit for Coarse-Graining Applications
- (2009) Victor Rühle et al. Journal of Chemical Theory and Computation
- Molecular Renormalization Group Coarse-Graining of Electrolyte Solutions: Application to Aqueous NaCl and KCl
- (2009) Alexey Savelyev et al. JOURNAL OF PHYSICAL CHEMISTRY B
- A Generalized-Yvon−Born−Green Theory for Determining Coarse-Grained Interaction Potentials
- (2009) J. W. Mullinax et al. Journal of Physical Chemistry C
- Front cover
- (2009) PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Multiscale modeling of emergent materials: biological and soft matter
- (2009) Teemu Murtola et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Generalized Yvon-Born-Green Theory for Molecular Systems
- (2009) J. W. Mullinax et al. PHYSICAL REVIEW LETTERS
- Constructing the equilibrium ensemble of folding pathways from short off-equilibrium simulations
- (2009) Frank Noé et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- High-Performance Drug Discovery: Computational Screening by Combining Docking and Molecular Dynamics Simulations
- (2009) Noriaki Okimoto et al. PLoS Computational Biology
- The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models
- (2008) W. G. Noid et al. JOURNAL OF CHEMICAL PHYSICS
- The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models
- (2008) W. G. Noid et al. JOURNAL OF CHEMICAL PHYSICS
- The relative entropy is fundamental to multiscale and inverse thermodynamic problems
- (2008) M. Scott Shell JOURNAL OF CHEMICAL PHYSICS
- Statistically optimal analysis of samples from multiple equilibrium states
- (2008) Michael R. Shirts et al. JOURNAL OF CHEMICAL PHYSICS
- The MARTINI Coarse-Grained Force Field: Extension to Proteins
- (2008) Luca Monticelli et al. Journal of Chemical Theory and Computation
- GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
- (2008) Berk Hess et al. Journal of Chemical Theory and Computation
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started