| scholarly article | Q13442814 |
| P356 | DOI | 10.1063/1.3663709 |
| P698 | PubMed publication ID | 22149773 |
| P50 | author | Joseph F Rudzinski | Q82849460 |
| P2093 | author name string | W G Noid | |
| P2860 | cites work | Inhomogeneous Electron Gas | Q21709392 |
| Relative entropy as a universal metric for multiscale errors | Q27444470 | ||
| Scalable molecular dynamics with NAMD | Q27860718 | ||
| The Amber biomolecular simulation programs | Q27860745 | ||
| GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation | Q27860944 | ||
| High-performance drug discovery: computational screening by combining docking and molecular dynamics simulations | Q28476233 | ||
| Atomic-level characterization of the structural dynamics of proteins | Q29616380 | ||
| The MARTINI force field: coarse grained model for biomolecular simulations | Q29617215 | ||
| A Transferable Coarse Grain Non-bonded Interaction Model For Amino Acids. | Q30385731 | ||
| Statistically optimal analysis of samples from multiple equilibrium states | Q30438437 | ||
| Recovering physical potentials from a model protein databank | Q34358926 | ||
| Chemically accurate coarse graining of double-stranded DNA. | Q34377420 | ||
| COMPUTING: Screen Savers of the World Unite! | Q34670167 | ||
| Coarse-graining in polymer simulation: from the atomistic to the mesoscopic scale and back | Q35000496 | ||
| Coarse-grained peptide modeling using a systematic multiscale approach | Q35812310 | ||
| Multiscale coarse-graining and structural correlations: connections to liquid-state theory | Q37097249 | ||
| The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models | Q37163939 | ||
| The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models | Q37163952 | ||
| The multiscale coarse-graining method. IV. Transferring coarse-grained potentials between temperatures | Q37291590 | ||
| Constructing the equilibrium ensemble of folding pathways from short off-equilibrium simulations. | Q37410885 | ||
| Multiscale modeling of emergent materials: biological and soft matter | Q37412978 | ||
| Multiscale simulation of soft matter systems | Q37693124 | ||
| Systematic coarse graining from structure using internal states: application to phospholipid/cholesterol bilayer | Q38434413 | ||
| Reference state for the generalized Yvon-Born-Green theory: application for coarse-grained model of hydrophobic hydration | Q38646397 | ||
| The inverse problem in classical statistical mechanics | Q40452709 | ||
| Atomistic folding simulations of the five-helix bundle protein λ(6−85). | Q42012438 | ||
| Molecular renormalization group coarse-graining of polymer chains: application to double-stranded DNA. | Q42538747 | ||
| The multiscale coarse-graining method: assessing its accuracy and introducing density dependent coarse-grain potentials | Q42938319 | ||
| Systematic coarse-graining of molecular models by the Newton inversion method | Q43161086 | ||
| Efficient, Regularized, and Scalable Algorithms for Multiscale Coarse-Graining. | Q45934880 | ||
| Representability problems for coarse-grained water potentials. | Q46011906 | ||
| A generalized mean field theory of coarse-graining. | Q46033111 | ||
| The relative entropy is fundamental to multiscale and inverse thermodynamic problems | Q46082939 | ||
| The multiscale coarse-graining method. V. Isothermal-isobaric ensemble | Q46355992 | ||
| Coarse-graining errors and numerical optimization using a relative entropy framework | Q46487618 | ||
| The MARTINI Coarse-Grained Force Field: Extension to Proteins. | Q47741405 | ||
| Effective force fields for condensed phase systems from ab initio molecular dynamics simulation: a new method for force-matching. | Q50100316 | ||
| Generalized Yvon-Born-Green theory for molecular systems. | Q50557732 | ||
| The multiscale coarse-graining method. VI. Implementation of three-body coarse-grained potentials. | Q51700309 | ||
| Molecular renormalization group coarse-graining of electrolyte solutions: application to aqueous NaCl and KCl. | Q51832438 | ||
| Multiscale coarse-graining of monosaccharides. | Q51906164 | ||
| On Information and Sufficiency | Q56286611 | ||
| Multiscale coarse graining of liquid-state systems | Q56873343 | ||
| Transferable Potentials for Phase Equilibria−Coarse-Grain Description for Linear Alkanes | Q58171677 | ||
| Versatile Object-Oriented Toolkit for Coarse-Graining Applications | Q58926548 | ||
| Comparative atomistic and coarse-grained study of water: What do we lose by coarse-graining? | Q59219378 | ||
| P433 | issue | 21 | |
| P407 | language of work or name | English | Q1860 |
| P304 | page(s) | 214101 | |
| P577 | publication date | 2011-12-01 | |
| P1433 | published in | Journal of Chemical Physics | Q900472 |
| P1476 | title | Coarse-graining entropy, forces, and structures | |
| P478 | volume | 135 |
| Q90218745 | Advances in coarse-grained modeling of macromolecular complexes |
| Q51082528 | An analytical coarse-graining method which preserves the free energy, structural correlations, and thermodynamic state of polymer melts from the atomistic to the mesoscale. |
| 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. |
| Q102218441 | Coarse graining molecular dynamics with graph neural networks |
| Q44127104 | Coarse-grained models using local-density potentials optimized with the relative entropy: Application to implicit solvation |
| Q57372065 | Computer Simulations of Soft Matter: Linking the Scales |
| Q92943862 | Development of Coarse-Grained Models for Polymers by Trajectory Matching |
| Q38526771 | Efficient Parameter Estimation of Generalizable Coarse-Grained Protein Force Fields Using Contrastive Divergence: A Maximum Likelihood Approach |
| Q34011410 | Entropy-enthalpy compensation: role and ramifications in biomolecular ligand recognition and design |
| Q50928163 | Equilibrium cluster fluids: pair interactions via inverse design. |
| Q47658510 | Extending pressure-matching to inhomogeneous systems via local-density potentials |
| Q48056739 | Extending the range and physical accuracy of coarse-grained models: Order parameter dependent interactions. |
| Q38764563 | Interactions and design rules for assembly of porous colloidal mesophases. |
| Q64285708 | Machine Learning of Coarse-Grained Molecular Dynamics Force Fields |
| Q51569925 | On the representability problem and the physical meaning of coarse-grained models. |
| Q38136697 | Perspective: Coarse-grained models for biomolecular systems |
| Q52653796 | Quantum theory of multiscale coarse-graining. |
| Q45156666 | Reaction coordinates, one-dimensional Smoluchowski equations, and a test for dynamical self-consistency |
| Q92373510 | Recent Advances in Coarse-Grained Models for Biomolecules and Their Applications |
| Q35699396 | Relative Entropy and Optimization-Driven Coarse-Graining Methods in VOTCA. |
| Q51392023 | Statistical mechanics of coarse graining: estimating dynamical speedups from excess entropies. |
| Q64264084 | Systematic Coarse-Grained Lipid Force Fields with Semiexplicit Solvation via Virtual Sites |
| Q58820898 | Systematic coarse-graining methods for soft matter simulations – a review |
| Q50896330 | Systematic hierarchical coarse-graining with the inverse Monte Carlo method. |
| Q46030859 | The impact of resolution upon entropy and information in coarse-grained models. |
| Q57368955 | The relative entropy is fundamental to adaptive resolution simulations |
| Q51291538 | Thermodynamic consistency in variable-level coarse graining of polymeric liquids. |
| Q47780985 | Thermodynamics of star polymer solutions: A coarse-grained study |
Search more.