Related references
Note: Only part of the references are listed.Can Polyelectrolyte Mechanical Properties be Directly Modulated by an Electric Field? A Molecular Dynamics Study
Prathamesh D. Raiter et al.
ADVANCED FUNCTIONAL MATERIALS (2021)
Parameterizing elastic network models to capture the dynamics of proteins
Patrice Koehl et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2021)
An Enhanced Scheme for Multiscale Modeling of Thermomechanical Properties of Polymer Bulks
Chaofu Wu et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2021)
Effect of Protein Flexibility from Coarse-Grained Elastic Network Parameterizations on the Calculation of Free Energy Profiles of Ligand Binding
Hugo A. L. Filipe et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2020)
Tacticity Effects on the Bulk Modulus of Poly(methyl methacrylate) Explored by Coarse-Grained Simulations
Chaofu Wu
JOURNAL OF PHYSICAL CHEMISTRY B (2020)
Realistic Coarse-Grain Model of cis-1,4-Polybutadiene: From Chemistry to Rheology
K. Kempfer et al.
MACROMOLECULES (2019)
Effect of Multiaxial Tensile Deformation on the Mechanical Properties of Semiflexible Polymeric Samples
Sunil Kumar et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2019)
A Transferrable Coarse-Grained Force Field for Simulations of Polyethers and Polyether Blends
Hao Huang et al.
MACROMOLECULES (2019)
Simulating local mobility and mechanical properties of thermostable polyimides with different dianhydride fragments
Victor M. Nazarychev et al.
JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS (2018)
Multiscale Modeling Scheme for Simulating Polymeric Melts: Application to Poly(Ethylene Oxide)
C. Wu
MACROMOLECULAR THEORY AND SIMULATIONS (2018)
Multiscale modeling of glass transition in polymeric films: Application to stereoregular poly(methyl methacrylate)s
Chaofu Wu
POLYMER (2018)
An interplay of electrostatic and excluded volume interactions in the conformational behavior of a dipolar chain: theory and computer simulations
Yu. D. Gordievskaya et al.
SOFT MATTER (2018)
Energy-Renormalization for Achieving Temperature Transferable Coarse-Graining of Polymer Dynamics
Wenjie Xa et al.
MACROMOLECULES (2017)
Coarse-Grained Polyethylene: Including Cross Terms in Bonded Interactions and Introducing Anisotropy into the Model for the Orthorhombic Crystal
I. A. Strelnikov et al.
POLYMER SCIENCE SERIES A (2017)
Atomistic Simulation of the Structure and Mechanics of a Semicrystalline Polyether
Nikolaos Lempesis et al.
MACROMOLECULES (2016)
Predicting the Mechanical Properties of Organic Semiconductors Using Coarse-Grained Molecular Dynamics Simulations
Samuel E. Root et al.
MACROMOLECULES (2016)
Correlation between the High-Temperature Local Mobility of Heterocyclic Polyimides and Their Mechanical Properties
Victor M. Nazarychev et al.
MACROMOLECULES (2016)
Uncertainty quantification in molecular dynamics studies of the glass transition temperature
Paul N. Patrone et al.
POLYMER (2016)
The multiscale coarse-graining method. XI. Accurate interactions based on the centers of charge of coarse-grained sites
Zhen Cao et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Thermomechanically Consistent and Temperature Transferable Coarse-Graining of Atactic Polystyrene
David D. Hsu et al.
MACROMOLECULES (2015)
A Review of the Properties and Applications of Poly (Methyl Methacrylate) (PMMA)
Umar Ali et al.
POLYMER REVIEWS (2015)
Derivation of coarse-grained potentials via multistate iterative Boltzmann inversion
Timothy C. Moore et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Influence of the Electrostatic Interactions on the Thermophysical Properties of Polyimides: Molecular-Dynamics Simulations
Stanislav G. Falkovich et al.
JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS (2014)
Computational study of thermal and mechanical properties of nylons and bio-based furan polyamides
In-Chul Yeh et al.
POLYMER (2014)
Thermal properties of bulk polyimides: insights from computer modeling versus experiment
Sergey V. Lyulin et al.
SOFT MATTER (2014)
Microsecond Atomic-Scale Molecular Dynamics Simulations of Polyimides
S. V. Lyulin et al.
MACROMOLECULES (2013)
A test of systematic coarse-graining of molecular dynamics simulations: Thermodynamic properties
Chia-Chun Fu et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
A Chemically Accurate Implicit-Solvent Coarse-Grained Model for Polystyrenesulfonate Solutions
Chunli Li et al.
MACROMOLECULES (2012)
Molecular Modeling Approach to Prediction of Thermo-Mechanical Behavior of Thermoset Polymer Networks
Natalia B. Shenogina et al.
MACROMOLECULES (2012)
Versatile Object-Oriented Toolkit for Coarse-Graining Applications
Victor Ruehle et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
PACKMOL: A Package for Building Initial Configurations for Molecular Dynamics Simulations
L. Martinez et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)
Coarse-Grained Polymer Melts Based on Isolated Atomistic Chains: Simulation of Polystyrene of Different Tacticities
Dominik Fritz et al.
MACROMOLECULES (2009)
GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
Berk Hess et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
Effect of Knotting on the Shape of Polymers
Eric J. Rawdon et al.
MACROMOLECULES (2008)
Large-scale molecular dynamics simulations of self-assembling systems
Michael L. Klein et al.
SCIENCE (2008)
The MARTINI force field: Coarse grained model for biomolecular simulations
Siewert J. Marrink et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2007)
Computation of densities, bulk moduli and glass transition temperatures of vinyl polymers from atomistic simulation
N. Metatla et al.
MOLECULAR SIMULATION (2006)
GROMACS: Fast, flexible, and free
D Van der Spoel et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
Molecular-weight and cooling-rate dependence of simulated Tg for amorphous polystyrene
AV Lyulin et al.
MACROMOLECULES (2003)
Packing optimization for automated generation of complex system's initial configurations for molecular dynamics and docking
JM Martínez et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)
Local dynamics of stereoregular PMMAs using molecular simulation
A Soldera et al.
MACROMOLECULES (2002)
Molecular weight dependence of reductions in the glass transition temperature of thin, freely standing polymer films
K Dalnoki-Veress et al.
PHYSICAL REVIEW E (2001)