| scholarly article | Q13442814 |
| P8978 | DBLP publication ID | journals/entropy/PotestioPK14 |
| P356 | DOI | 10.3390/E16084199 |
| P50 | author | Kurt Kremer | Q20748655 |
| P2093 | author name string | Christine Peter | |
| Raffaello Potestio | |||
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| Effective force field for liquid hydrogen fluoride from ab initio molecular dynamics simulation using the force-matching method. | Q50092319 | ||
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| A new parametrization of the Stillinger-Weber potential for an improved description of defects and plasticity of silicon. | Q51598746 | ||
| Classical to path-integral adaptive resolution in molecular simulation: towards a smooth quantum-classical coupling. | Q51656192 | ||
| The multiscale coarse-graining method. VI. Implementation of three-body coarse-grained potentials. | Q51700309 | ||
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| Conservative Algorithm for an Adaptive Change of Resolution in Mixed Atomistic/Coarse-Grained Multiscale Simulations. | Q51895864 | ||
| Some fundamental problems for an energy-conserving adaptive-resolution molecular dynamics scheme. | Q51901330 | ||
| Energy Conservation in Adaptive Hybrid Atomistic/Coarse-Grain Molecular Dynamics. | Q51916177 | ||
| Efficient reconstruction of complex free energy landscapes by multiple walkers metadynamics. | Q51949539 | ||
| Deriving effective mesoscale potentials from atomistic simulations. | Q52010759 | ||
| Hamiltonian adaptive resolution simulation for molecular liquids. | Q52639398 | ||
| "Learn on the fly": a hybrid classical and quantum-mechanical molecular dynamics simulation. | Q53778323 | ||
| Exponents for the excluded volume problem as derived by the Wilson method | Q56474803 | ||
| Large Amplitude Elastic Motions in Proteins from a Single-Parameter, Atomic Analysis | Q56688821 | ||
| Multiscale coarse graining of liquid-state systems | Q56873343 | ||
| Hybrid simulations: combining atomistic and coarse-grained force fields using virtual sites | Q57129265 | ||
| Coil–Globule–Coil Transition of PNIPAm in Aqueous Methanol: Coupling All-Atom Simulations to Semi-Grand Canonical Coarse-Grained Reservoir | Q57362300 | ||
| Monte Carlo Adaptive Resolution Simulation of Multicomponent Molecular Liquids | Q57547157 | ||
| Quantum locality and equilibrium properties in low-temperature parahydrogen: A multiscale simulation study | Q57547164 | ||
| Coarse-graining in polymer simulation: from the atomistic to the mesoscopic scale and back | Q35000496 | ||
| Minimalist models for protein folding and design | Q35119722 | ||
| Development of novel statistical potentials for protein fold recognition | Q35749519 | ||
| Coarse-grained peptide modeling using a systematic multiscale approach | Q35812310 | ||
| Atoms-to-microns model for small solute transport through sticky nanochannels | Q35952114 | ||
| Large-scale allosteric conformational transitions of adenylate kinase appear to involve a population-shift mechanism | Q36276838 | ||
| Multiscale modeling of biomolecular systems: in serial and in parallel | Q36769218 | ||
| Multiscale simulation of soft matter: from scale bridging to adaptive resolution | Q37025975 | ||
| Coarse-grained models of protein folding: toy models or predictive tools? | Q37045351 | ||
| The multiscale coarse-graining method. IV. Transferring coarse-grained potentials between temperatures | Q37291590 | ||
| Molecular dynamics simulations of spontaneous fibril formation by random-coil peptides | Q37603743 | ||
| Minimalist models for proteins: a comparative analysis | Q37779823 | ||
| Coarse-grained models for protein aggregation. | Q37849429 | ||
| Perspective: Coarse-grained models for biomolecular systems | Q38136697 | ||
| A test of systematic coarse-graining of molecular dynamics simulations: thermodynamic properties | Q38422997 | ||
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| Evaluating the transferability of coarse-grained, density-dependent implicit solvent models to mixtures and chains | Q38435957 | ||
| Derivation of coarse grained models for multiscale simulation of liquid crystalline phase transitions | Q39632778 | ||
| Theoretical Studies of Protein Folding | Q40152842 | ||
| Transferability of Coarse Grained Potentials: Implicit Solvent Models for Hydrated Ions. | Q40286989 | ||
| The inverse problem in classical statistical mechanics | Q40452709 | ||
| Structure-derived potentials and protein simulations | Q41052933 | ||
| Generic coarse-grained model for protein folding and aggregation. | Q41906347 | ||
| Molecular renormalization group coarse-graining of polymer chains: application to double-stranded DNA. | Q42538747 | ||
| Molecular dynamics of apo-adenylate kinase: a principal component analysis | Q42689505 | ||
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| Dual translocation pathways in smectic liquid crystals facilitated by molecular flexibility | Q45023205 | ||
| Pairwise energies for polypeptide coarse-grained models derived from atomic force fields. | Q45998085 | ||
| Representability problems for coarse-grained water potentials. | Q46011906 | ||
| The relative entropy is fundamental to multiscale and inverse thermodynamic problems | Q46082939 | ||
| Self-assembling dipeptides: conformational sampling in solvent-free coarse-grained simulation. | Q46091524 | ||
| Self-assembling dipeptides: including solvent degrees of freedom in a coarse-grained model | Q46091525 | ||
| Coarse-grained models for fluids and their mixtures: Comparison of Monte Carlo studies of their phase behavior with perturbation theory and experiment. | Q46134586 | ||
| Self-assembly of beta-sheet forming peptides into chiral fibrillar aggregates | Q46154283 | ||
| Water modeled as an intermediate element between carbon and silicon | Q46289790 | ||
| Coarse-graining errors and numerical optimization using a relative entropy framework | Q46487618 | ||
| Efficient prediction of thermodynamic properties of quadrupolar fluids from simulation of a coarse-grained model: the case of carbon dioxide. | Q46697588 | ||
| Transferability of coarse-grained force fields: the polymer case. | Q46747598 | ||
| Adaptive resolution molecular-dynamics simulation: changing the degrees of freedom on the fly. | Q46866226 | ||
| Mesoscale modeling of complex binary fluid mixtures: towards an atomistic foundation of effective potentials | Q46959619 | ||
| P275 | copyright license | Creative Commons Attribution 4.0 International | Q20007257 |
| P6216 | copyright status | copyrighted | Q50423863 |
| P433 | issue | 8 | |
| P921 | main subject | computer simulation | Q925667 |
| P304 | page(s) | 4199-4245 | |
| P577 | publication date | 2014-07-28 | |
| P1433 | published in | Entropy | Q3011618 |
| P1476 | title | Computer Simulations of Soft Matter: Linking the Scales | |
| P478 | volume | 16 |
| Q57372301 | A Review of Multiscale Computational Methods in Polymeric Materials |
| Q47687957 | Adaptive resolution simulations of biomolecular systems. |
| Q37380081 | Bayesian calibration of coarse-grained forces: Efficiently addressing transferability |
| Q39708755 | Dynamics of Molecular Crystals by Means of (1) H NMR Relaxometry: Dynamical Heterogeneity versus Homogenous Motion. |
| Q48055259 | Getting excited: challenges in quantum-classical studies of excitons in polymeric systems. |
| Q58051716 | Modeling of Polymer Structure and Conformations in Polymer Nanocomposites from Atomistic to Mesoscale: A Review |
| Q30314061 | Multidimensional stochastic approximation Monte Carlo |
| Q58061172 | Perspectives on the Future of Ice Nucleation Research: Research Needs and Unanswered Questions Identified from Two International Workshops |
| Q57547145 | Reply to comments by R. Klein on Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations |
| Q50948155 | Systematic and simulation-free coarse graining of homopolymer melts: a relative-entropy-based study. |
| Q50896330 | Systematic hierarchical coarse-graining with the inverse Monte Carlo method. |
| Q38406873 | Transferability of a coarse-grained atactic polystyrene model: the non-bonded potential effect |
| Q48058592 | Using force-based adaptive resolution simulations to calculate solvation free energies of amino acid sidechain analogues |
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