| review article | Q7318358 |
| scholarly article | Q13442814 |
| P356 | DOI | 10.1002/1439-7641(20020916)3:9<754::AID-CPHC754>3.0.CO;2-U |
| P8608 | Fatcat ID | release_hd6z4afefzgtlombtg6rmq2u2e |
| P698 | PubMed publication ID | 12436902 |
| P50 | author | Florian Müller-Plathe | Q55362123 |
| P433 | issue | 9 | |
| P304 | page(s) | 755-769 | |
| P577 | publication date | 2002-09-01 | |
| P1433 | published in | ChemPhysChem | Q2012739 |
| P1476 | title | Coarse-graining in polymer simulation: from the atomistic to the mesoscopic scale and back | |
| P478 | volume | 3 |
| Q58920472 | A Description of Multiscale Modeling for the Head-Disk Interface Focusing on Bottom-Level Lubricant and Carbon Overcoat Models |
| Q57372301 | A Review of Multiscale Computational Methods in Polymeric Materials |
| Q46033111 | A generalized mean field theory of coarse-graining. |
| Q36432482 | A generic force field for protein coarse-grained molecular dynamics simulation |
| Q50579144 | A kinetic chain growth algorithm in coarse-grained simulations. |
| Q58583821 | A multiscale scheme for simulating polymer Tg |
| Q50755403 | A new algorithm for construction of coarse-grained sites of large biomolecules. |
| Q38422997 | A test of systematic coarse-graining of molecular dynamics simulations: thermodynamic properties |
| Q44016142 | A transferable coarse-grained model for diphenylalanine: how to represent an environment driven conformational transition |
| Q51020772 | Accurate coarse-grained models for mixtures of colloids and linear polymers under good-solvent conditions. |
| Q48053118 | Adaptive-numerical-bias metadynamics. |
| Q39646253 | An ellipsoid-chain model for conjugated polymer solutions |
| Q53178189 | Bottom-up coarse-grained models that accurately describe the structure, pressure, and compressibility of molecular liquids. |
| Q50634792 | Bottom-up coarse-grained models with predictive accuracy and transferability for both structural and thermodynamic properties of heptane-toluene mixtures. |
| Q46605439 | Bridging coarse-grained models by jump-in-sample simulations |
| Q37744021 | Capturing RNA Folding Free Energy with Coarse-Grained Molecular Dynamics Simulations |
| Q58051777 | Challenges in Multiscale Modeling of Polymer Dynamics |
| Q42150750 | Characterizing protein energy landscape by self-learning multiscale simulations: application to a designed β-hairpin |
| Q92936842 | Chemically Specific Multiscale Modeling of the Shear-Induced Exfoliation of Clay-Polymer Nanocomposites |
| Q37979734 | Classical reactive molecular dynamics implementations: state of the art. |
| Q46042070 | Coarse grained molecular dynamics simulation of nanoconfined water |
| Q37773796 | Coarse grained molecular dynamics simulations of transmembrane protein-lipid systems. |
| Q46612030 | Coarse graining using pretabulated potentials: liquid benzene |
| Q50906453 | Coarse-grained force field for simulating polymer-tethered silsesquioxane self-assembly in solution. |
| Q45923230 | Coarse-grained ions without charges: reproducing the solvation structure of NaCl in water using short-ranged potentials. |
| Q38180424 | Coarse-grained models of the proteins backbone conformational dynamics. |
| Q44127104 | Coarse-grained models using local-density potentials optimized with the relative entropy: Application to implicit solvation |
| Q35812310 | Coarse-grained peptide modeling using a systematic multiscale approach |
| Q51969594 | Coarse-grained rigid blob model for soft matter simulations. |
| Q51191461 | Coarse-grained simulations of moderately entangled star polyethylene melts. |
| Q48024614 | Coarse-graining entropy, forces, and structures. |
| Q46487618 | Coarse-graining errors and numerical optimization using a relative entropy framework |
| Q50585647 | Coarse-graining strategy for molecular pair interactions: A reaction coordinate study for two- and three-dimensional systems. |
| Q58224693 | Coarse-graining: A procedure to generate equilibrated and relaxed models of amorphous polymers |
| Q51631629 | Combined length scales in dissipative particle dynamics. |
| Q33596841 | Combined molecular algorithms for the generation, equilibration and topological analysis of entangled polymers: methodology and performance. |
| Q34125154 | Combining optimal control theory and molecular dynamics for protein folding |
| Q44938277 | Comparing different coarse-grained potentials for star polymers. |
| Q60360344 | Comparison of Thermodynamic Properties of Coarse-Grained and Atomic-Level Simulation Models |
| Q57372065 | Computer Simulations of Soft Matter: Linking the Scales |
| Q51972817 | Computer simulations of polymer chain structure and dynamics on a hypersphere in four-space. |
| Q46223668 | Consistent coarse-graining strategy for polymer solutions in the thermal crossover from good to θ solvent |
| Q57582005 | Designing multi-layer graphene-based assemblies for enhanced toughness in nacre-inspired nanocomposites |
| Q60139132 | Developing a coarse-grained force field for the diblock copolymer poly(styrene-b-butadiene) from atomistic simulation |
| Q92943862 | Development of Coarse-Grained Models for Polymers by Trajectory Matching |
| Q53252198 | Development of a coarse-grained α-chitin model on the basis of MARTINI forcefield. |
| Q53593816 | Directing the self-assembly of supra-biomolecular nanotubes using entropic forces. |
| Q36402289 | Dynamics of the acetylcholinesterase tetramer |
| Q48300163 | Effective pair potential between charged nanoparticles at high volume fractions. |
| Q51614027 | Efficient hybrid evolutionary optimization of interatomic potential models. |
| Q46697588 | Efficient prediction of thermodynamic properties of quadrupolar fluids from simulation of a coarse-grained model: the case of carbon dioxide. |
| Q37679697 | Emerging applications of stimuli-responsive polymer materials |
| Q48041828 | Energy Renormalization for Coarse-Graining the Dynamics of a Model Glass-Forming Liquid. |
| Q57581983 | Energy-Renormalization for Achieving Temperature Transferable Coarse-Graining of Polymer Dynamics |
| Q51861671 | Fast dynamics in coarse-grained polymer models: the effect of the hydrogen bonds. |
| Q34600960 | Gated binding of ligands to HIV-1 protease: Brownian dynamics simulations in a coarse-grained model |
| Q50557732 | Generalized Yvon-Born-Green theory for molecular systems. |
| Q33905835 | Hierarchies in eukaryotic genome organization: Insights from polymer theory and simulations |
| Q38020137 | How good are coarse-grained polymer models? A comparison for atactic polystyrene. |
| Q80367634 | Hybrid atomistic-coarse-grained treatment of thin-film lubrication. I |
| Q51436599 | Hybrid particle-field molecular dynamics simulations: parallelization and benchmarks. |
| Q46879061 | Incorporating a hydrophobic solid into a coarse grain liquid framework: graphite in an aqueous amphiphilic environment. |
| Q51170706 | Information-theoretic tools for parametrized coarse-graining of non-equilibrium extended systems. |
| Q38764563 | Interactions and design rules for assembly of porous colloidal mesophases. |
| Q51901435 | Interatomic potential-based semiclassical theory for Lennard-Jones fluids. |
| Q41664830 | Lattice Monte Carlo simulations of polymer melts |
| Q44983871 | Long-range ordered structures in diblock copolymer melts induced by combined external fields |
| Q64285708 | Machine Learning of Coarse-Grained Molecular Dynamics Force Fields |
| Q47783607 | Melt-phase behavior of collapsed PMMA/PVC chains revealed by multiscale simulations. |
| Q46501976 | Mesoscale model parameters from molecular cluster calculations |
| Q57012850 | Mesoscale modeling of block copolymer nanocomposites |
| Q38477132 | Mesoscale modelling of environmentally responsive hydrogels: emerging applications. |
| Q44561616 | Microscopic derivation of particle-based coarse-grained dynamics |
| Q51664331 | Mimicking coarse-grained simulations without coarse-graining: enhanced sampling by damping short-range interactions. |
| Q46168821 | Minimizing memory as an objective for coarse-graining |
| Q92528417 | Molecular Modeling Investigations of Sorption and Diffusion of Small Molecules in Glassy Polymers |
| Q58373498 | Molecular Modelling and Simulation of Electrolyte Solutions, Biomolecules, and Wetting of Component Surfaces |
| Q47912263 | Molecular insight into the Mullins effect: irreversible disentanglement of polymer chains revealed by molecular dynamics simulations |
| Q42538747 | Molecular renormalization group coarse-graining of polymer chains: application to double-stranded DNA. |
| Q51102126 | Multi-scale coarse-graining of non-conservative interactions in molecular liquids. |
| Q39877524 | Multiscale methods for protein folding simulations |
| Q42957995 | Multiscale modeling of nucleosome dynamics |
| Q51113899 | Multiscale modeling of polyisoprene on graphite. |
| Q45789377 | Multiscale modeling with smoothed dissipative particle dynamics |
| Q37693124 | Multiscale simulation of soft matter systems |
| Q39863646 | Nanoparticle interaction potentials constructed by multiscale computation |
| Q38957046 | Nonequilibrium Markov state modeling of the globule-stretch transition |
| Q51585145 | Obtaining fully dynamic coarse-grained models from MD. |
| Q41154585 | On the importance of shear dissipative forces in coarse-grained dynamics of molecular liquids |
| Q62599580 | Optimal Coarse-Grained Site Selection in Elastic Network Models of Biomolecules |
| Q45998085 | Pairwise energies for polypeptide coarse-grained models derived from atomic force fields. |
| Q39847912 | Parametrization of the Gay-Berne potential for conjugated oligomer with a high aspect ratio |
| Q38136697 | Perspective: Coarse-grained models for biomolecular systems |
| Q46791657 | Predicting the thermodynamics by using state-dependent interactions |
| Q48047200 | Protein simulation using coarse-grained two-bead multipole force field with polarizable water models |
| Q52653796 | Quantum theory of multiscale coarse-graining. |
| Q47235409 | RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview. |
| Q38646397 | Reference state for the generalized Yvon-Born-Green theory: application for coarse-grained model of hydrophobic hydration |
| Q35699396 | Relative Entropy and Optimization-Driven Coarse-Graining Methods in VOTCA. |
| Q45976828 | Self-learning multiscale simulation for achieving high accuracy and high efficiency simultaneously. |
| Q47209284 | Side-group size effects on interfaces and glass formation in supported polymer thin films. |
| Q51861655 | Single-chain dynamics in a homogeneous melt and a lamellar microphase: a comparison between Smart Monte Carlo dynamics, slithering-snake dynamics, and slip-link dynamics. |
| Q61893894 | Slip Spring-Based Mesoscopic Simulations of Polymer Networks: Methodology and the Corresponding Computational Code. |
| Q57428488 | Spatial prediction of crystalline defects observed in molecular dynamic simulations of plastic damage |
| Q38420351 | Structure-based coarse-graining for inhomogeneous liquid polymer systems |
| Q50948155 | Systematic and simulation-free coarse graining of homopolymer melts: a relative-entropy-based study. |
| Q58820898 | Systematic coarse-graining methods for soft matter simulations – a review |
| Q50944643 | Tailoring single chain polymer nanoparticle thermo-mechanical behavior by cross-link density. |
| Q53551255 | The competing effects of core rigidity and linker flexibility in the nanoassembly of trivalent small molecule-DNA hybrids (SMDH3s)-a synergistic experimental-modeling study. |
| Q46030859 | The impact of resolution upon entropy and information in coarse-grained models. |
| Q37163952 | The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models |
| Q37163939 | The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models |
| Q37291590 | The multiscale coarse-graining method. IV. Transferring coarse-grained potentials between temperatures |
| Q42938319 | The multiscale coarse-graining method: assessing its accuracy and introducing density dependent coarse-grain potentials |
| Q57368955 | The relative entropy is fundamental to adaptive resolution simulations |
| Q83232673 | The role of scaffold reshaping and disassembly in dynamin driven membrane fission |
| Q93005917 | Thermodynamics of a Compressible Maier-Saupe Model Based on the Self-Consistent Field Theory of Wormlike Polymer |
| Q47780985 | Thermodynamics of star polymer solutions: A coarse-grained study |
| Q43419149 | Time versus temperature rescaling for coarse grain molecular dynamics simulations. |
| Q38406873 | Transferability of a coarse-grained atactic polystyrene model: the non-bonded potential effect |
| Q46747598 | Transferability of coarse-grained force fields: the polymer case. |
| Q40337321 | Transferability of the coarse-grained potentials for trans-1,4-polybutadiene |
| Q47321856 | Transferable coarse-grained model for perfluorosulfonic acid polymer membranes. |
| Q57216452 | Trigger sequence can influence final morphology in the self-assembly of asymmetric telechelic polymers |
| Q48046239 | Two-bead polarizable water models combined with a two-bead multipole force field (TMFF) for coarse-grained simulation of proteins |
| Q91990826 | Understanding Missing Entropy in Coarse-Grained Systems: Addressing Issues of Representability and Transferability |
| Q53443529 | Why are coarse-grained force fields too fast? A look at dynamics of four coarse-grained polymers. |
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