Related references
Note: Only part of the references are listed.Transferability of Local Density-Assisted Implicit Solvation Models for Homogeneous Fluid Mixtures
David Rosenberger et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
Dual approach for effective potentials that accurately model structure and energetics
Kathryn M. Lebold et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
BOCS: Bottom-up Open-source Coarse-graining Software
Nicholas J. H. Dunn et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2018)
Transferable Coarse-Grained Models of Liquid-Liquid Equilibrium Using Local Density Potentials Optimized with the Relative Entropy
Tanmoy Sanyal et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2018)
Extending pressure-matching to inhomogeneous systems via local-density potentials
Michael R. DeLyser et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Perspective: Dissipative particle dynamics
Pep Espanol et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Extending the range and physical accuracy of coarse-grained models: Order parameter dependent interactions
Jacob W. Wagner et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Van der Waals Perspective on Coarse-Graining: Progress toward Solving Representability and Transferability Problems
Nicholas J. H. Dunn et al.
ACCOUNTS OF CHEMICAL RESEARCH (2016)
Bottom-up coarse-grained models with predictive accuracy and transferability for both structural and thermodynamic properties of heptane-toluene mixtures
Nicholas J. H. Dunn et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
A pressure-transferable coarse-grained potential for modeling the shock Hugoniot of polyethylene
Vipin Agrawal et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
A coarse-grain force field for RDX: Density dependent and energy conserving
Joshua D. Moore et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Coarse-grained models using local-density potentials optimized with the relative entropy: Application to implicit solvation
Tanmoy Sanyal et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
On the representability problem and the physical meaning of coarse-grained models
Jacob W. Wagner et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Thermodynamic consistency and other challenges in coarse-graining models
M. Guenza
EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS (2015)
A generalized-Yvon-Born-Green method for coarse-grained modeling Advances, Challenges, and Insight
J. F. Rudzinski et al.
EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS (2015)
Bottom-up coarse-grained models that accurately describe the structure, pressure, and compressibility of molecular liquids
Nicholas J. H. Dunn et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Bottom-Up Coarse-Graining of Peptide Ensembles and Helix-Coil Transitions
Joseph F. Rudzinski et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Direct-Space Corrections Enable Fast and Accurate Lorentz-Berthelot Combination Rule Lennard-Jones Lattice Summation
Christian L. Wennberg et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
XSEDE: Accelerating Scientific Discovery
John Towns et al.
COMPUTING IN SCIENCE & ENGINEERING (2014)
Coarse-Graining Methods for Computational Biology
Marissa G. Saunders et al.
ANNUAL REVIEW OF BIOPHYSICS, VOL 42 (2013)
Perspective on the Martini model
Siewert J. Marrink et al.
CHEMICAL SOCIETY REVIEWS (2013)
Perspective: Coarse-grained models for biomolecular systems
W. G. Noid
JOURNAL OF CHEMICAL PHYSICS (2013)
No-go theorem in many-body dissipative particle dynamics
Patrick B. Warren
PHYSICAL REVIEW E (2013)
Systematic coarse-graining methods for soft matter simulations - a review
Emiliano Brini et al.
SOFT MATTER (2013)
Structure-based coarse-graining in liquid slabs
Mara Jochum et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
The Role of Many-Body Correlations in Determining Potentials for Coarse-Grained Models of Equilibrium Structure
Joseph F. Rudzinski et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2012)
A New Multiscale Algorithm and Its Application to Coarse-Grained Peptide Models for Self-Assembly
Scott P. Carmichael et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2012)
On developing coarse-grained models for biomolecular simulation: a review
Sereina Riniker et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Predictive energy landscapes for protein-protein association
Weihua Zheng et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2012)
Coarse-graining entropy, forces, and structures
Joseph F. Rudzinski et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Mesoscale modeling of the water liquid-vapor interface: A surface tension calculation
A. Ghoufi et al.
PHYSICAL REVIEW E (2011)
Biomolecular modeling and simulation: a field coming of age
Tamar Schlick et al.
QUARTERLY REVIEWS OF BIOPHYSICS (2011)
Multiscale simulation of soft matter systems
Christine Peter et al.
FARADAY DISCUSSIONS (2010)
Systematic coarse-graining of molecular models by the Newton inversion method
Alexander Lyubartsev et al.
FARADAY DISCUSSIONS (2010)
Main phase transition in lipid bilayers: Phase coexistence and line tension in a soft, solvent-free, coarse-grained model
Martin Hoemberg et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
The multiscale coarse-graining method. V. Isothermal-isobaric ensemble
Avisek Das et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Calculation of the surface tension from multibody dissipative particle dynamics and Monte Carlo methods
A. Ghoufi et al.
PHYSICAL REVIEW E (2010)
Chemically accurate coarse graining of double-stranded DNA
Alexey Savelyev et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2010)
Comparative atomistic and coarse-grained study of water: What do we lose by coarse-graining?
Han Wang et al.
EUROPEAN PHYSICAL JOURNAL E (2009)
Evaluating the transferability of coarse-grained, density-dependent implicit solvent models to mixtures and chains
Erik C. Allen et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Molecular Renormalization Group Coarse-Graining of Electrolyte Solutions: Application to Aqueous NaCl and KCl
Alexey Savelyev et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2009)
Mesoscopic Membrane Physics: Concepts, Simulations, and Selected Applications
Markus Deserno
MACROMOLECULAR RAPID COMMUNICATIONS (2009)
Generalized Yvon-Born-Green Theory for Molecular Systems
J. W. Mullinax et al.
PHYSICAL REVIEW LETTERS (2009)
The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models
W. G. Noid et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
A novel algorithm for creating coarse-grained, density dependent implicit solvent models
Erik C. Allen et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models
W. G. Noid et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
The relative entropy is fundamental to multiscale and inverse thermodynamic problems
M. Scott Shell
JOURNAL OF CHEMICAL PHYSICS (2008)
Large-scale molecular dynamics simulations of self-assembling systems
Michael L. Klein et al.
SCIENCE (2008)
Multiscale coarse-graining and structural correlations: Connections to liquid-state theory
W. G. Noid et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2007)
Representability problems for coarse-grained water potentials
Margaret E. Johnson et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Canonical sampling through velocity rescaling
Giovanni Bussi et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Coarse-grained peptide modeling using a systematic multiscale approach
Jian Zhou et al.
BIOPHYSICAL JOURNAL (2007)
Multiscale coarse graining of liquid-state systems
S Izvekov et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
A multiscale coarse-graining method for biomolecular systems
S Izvekov et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
Water in protein structure prediction
GA Papoian et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2004)
Vapor-liquid coexistence in many-body dissipative particle dynamics
PB Warren
PHYSICAL REVIEW E (2003)
Thermodynamic consistency in dissipative particle dynamics simulations of strongly nonideal liquids and liquid mixtures
SY Trofimov et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Beware of density dependent pair potentials
AA Louis
JOURNAL OF PHYSICS-CONDENSED MATTER (2002)
Dissipative particle dynamics for interacting systems
I Pagonabarraga et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Effective interactions in soft condensed matter physics
CN Likos
PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS (2001)
A structure-based coarse-grained model for polymer melts
RLC Akkermans et al.
JOURNAL OF CHEMICAL PHYSICS (2001)