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Abbreviation : CG
Long Form : coarse-grained
No. Year Title Co-occurring Abbreviation
2020 A good combination of strength and ductility of ultra-coarse-grained Cu-Al alloy with coarse-grained surface layer via pre-torsional treatment. UCG
2020 Atomic-level reconstruction of biomolecules by a rigid-fragment- and local-frame-based (RF-LF) strategy. RF-LF
2020 Determining Optimal Coarse-Grained Representation for Biomolecules Using Internal Cluster Validation Indexes. ---
2020 Free Energies of the Disassembly of Viral Capsids from a Multiscale Molecular Simulation Approach. MD, TrV
2020 Martini Force Field for Protonated Polyethyleneimine. AA, FF, PEI
2020 Modeling DNA Flexibility: Comparison of Force Fields from Atomistic to Multiscale Levels. FFs
2020 Molecular characterization of the outer membrane of Pseudomonas aeruginosa. AA, LPS, MD, OM
2020 Molecular Dynamics of the Recruitment of Immunoreceptor Signaling Module DAP12 Homodimer to Lipid Raft Boundary Regulated by PIP2. ITAMs, NK, TCR
2020 Molecular dynamics simulation of imidazolium CnMIM-BF4 ionic liquids using a coarse grained force-field. ILs
10  2020 On the mechanical behavior of austenitic stainless steel with nano/ultrafine grains and comparison with micrometer austenitic grains counterpart and their biological functions. ---
11  2020 Post-Translational Modifications at the Coarse-Grained Level with the SIRAH Force Field. PTMs
12  2020 pSPICA: A Coarse-Grained Force Field for Lipid Membranes Based on a Polar Water Model. FF
13  2020 Role of membrane curvature on the activation/deactivation of Carnitine Palmitoyltransferase 1A: A coarse grain molecular dynamic study. CPT 1A, NTD, OMM, TM
14  2019 A coarse-grained red blood cell membrane model to study stomatocyte-discocyte-echinocyte morphologies. BCM, RBC, SDE
15  2019 A hybrid, bottom-up, structurally accurate, Go-like coarse-grained protein model. ---
16  2019 A multiscale analysis of DNA phase separation: from atomistic to mesoscale level. ---
17  2019 A new method for the construction of coarse-grained models of large biomolecules from low-resolution cryo-electron microscopy data. CK-CG, cryo-EM
18  2019 A Practical View of the Martini Force Field. MD
19  2019 Adversarial-residual-coarse-graining: Applying machine learning theory to systematic molecular coarse-graining. ---
20  2019 Aggregation Behavior of Model Asphaltenes Revealed from Large-Scale Coarse-Grained Molecular Simulations. EOS
21  2019 Analysis of local density potentials. AA, LD, MS-CG
22  2019 Back-mapping based sampling: Coarse grained free energy landscapes as a guideline for atomistic exploration. BMBS, FESs, NN
23  2019 Backmapping from Multiresolution Coarse-Grained Models to Atomic Structures of Large Biomolecules by Restrained Molecular Dynamics Simulations Using Bayesian Inference. AA, MD
24  2019 Bayesian selection for coarse-grained models of liquid water. ---
25  2019 Coarse-grained modeling of the nucleation of polycyclic aromatic hydrocarbons into soot precursors. PAH, PY
26  2019 Coarse-grained molecular dynamics simulations of alpha-1,3-glucan. ---
27  2019 Coarse-graining involving virtual sites: Centers of symmetry coarse-graining. COM, COS
28  2019 Compatible observable decompositions for coarse-grained representations of real molecular systems. MS-CODE, RE-CODE
29  2019 Computational simulations of TNF receptor oligomerization on plasma membrane. AA, MD, TNFR1, TNFs
30  2019 Conditional Reversible Work Coarse-Grained Models with Explicit Electrostatics-An Application to Butylmethylimidazolium Ionic Liquids. BMIM, CRW
31  2019 Curvature effect and stabilize ruptured membrane of BAX derived peptide studied by molecular dynamics simulations. AA, TMD
32  2019 Curvature induction and sensing of the F-BAR protein Pacsin1 on lipid membranes via molecular dynamics simulations. AA, F-BAR
33  2019 Developing a Transferable Coarse-Grained Model for the Prediction of Thermodynamic, Structural, and Mechanical Properties of Polyimides at Different Thermodynamic State Points. IBI, PI
34  2019 Development of Coarse-Grained Force Field by Combining Multilinear Interpolation Technique and Simplex Algorithm. FF
35  2019 Development of Coarse-Grained Models for Polymers by Trajectory Matching. ---
36  2019 Development of Transferable Nonbonded Interactions between Coarse-Grained Hydrocarbon and Water Models. FF
37  2019 Direct route to reproducing pair distribution functions with coarse-grained models via transformed atomistic cross correlations. ---
38  2019 Dual approach for effective potentials that accurately model structure and energetics. ---
39  2019 Dual-potential approach for coarse-grained implicit solvent models with accurate, internally consistent energetics and predictive transferability. ---
40  2019 Effect of Chemical Permeation Enhancers on Skin Permeability: In silico screening using Molecular Dynamics simulations. APIs, CPEs, MD, SC
41  2019 Effect of Cholesterol and 6-Ketocholestanol on Membrane Dipole Potential and Sterol Flip-Flop Motion in Bilayer Membranes. 6-KC, Chol, DMPC
42  2019 Effect of Peptide Sequence on the LCST-Like Transition of Elastin-Like Peptides and Elastin-Like Peptide-Collagen-Like Peptide Conjugates: Simulations and Experiments. CLPs, ELPs, VPGXG
43  2019 Effects of Ether Linkage on Membrane Dipole Potential and Cholesterol Flip-Flop Motion in Lipid Bilayer Membranes. AA
44  2019 Electrochemical Corrosion Behavior and Mechanical Properties of Nanocrystalline Ti⁻6Al⁻4V Alloy Induced by Sliding Friction Treatment. NG, SFT
45  2019 Electronic structure at coarse-grained resolutions from supervised machine learning. ANN-ECG
46  2019 Electrostatically Mediated Protein-Protein Interactions for Monoclonal Antibodies: A Combined Experimental and Coarse-Grained Molecular Modeling Approach. PPI
47  2019 Energy renormalization for coarse-graining polymers having different segmental structures. ER, GET
48  2019 Equations of motion for position-dependent coarse-grain mappings obtained with Mori-Zwanzig theory. ---
49  2019 Establishing Computational Approaches Towards Identifying Malarial Allosteric Modulators: A Case Study of Plasmodium falciparum Hsp70s. BC, HSPs
50  2019 Evidence of information limitations in coarse-grained models. ---
51  2019 Fat SIRAH: Coarse-Grained Phospholipids To Explore Membrane-Protein Dynamics. ---
52  2019 Framework for Inverse Mapping Chemistry-Agnostic Coarse-Grained Simulation Models into Chemistry-Specific Models. CS
53  2019 Graph-Based Approach to Systematic Molecular Coarse-Graining. GBCG
54  2019 Hierarchical modelling of polystyrene melts: from soft blobs to atomistic resolution. PS
55  2019 Implicit-solvent coarse-grained modeling for polymer solutions via Mori-Zwanzig formalism. GLE, MD
56  2019 Importance of Interface in the Coarse-Grained Model of CNT /Epoxy Nanocomposites. AA, CNTs
57  2019 Invariance of experimental observables with respect to coarse-graining in standard and many-body dissipative particle dynamics. DPD
58  2019 Ionic transport through a protein nanopore: a Coarse-Grained Molecular Dynamics Study. ---
59  2019 Local and long range potentials for heparin-protein systems for coarse-grained simulations. GAGs
60  2019 Low-Resolution Models for the Interaction Dynamics of Coated Gold Nanoparticles with beta2-microglobulin. MS, NPs
61  2019 Machine learning coarse grained models for water. ---
62  2019 Martini Coarse-Grained Model for Clay-Polymer Nanocomposites. OMMT, TMA
63  2019 Martini coarse-grained model for polyethylenimine. PEI
64  2019 MARTINI-based simulation method for step-growth polymerization and its analysis by size exclusion characterization: a case study of cross-linked polyurethane. Tg
65  2019 Microscopic derivation of coarse-grained, energy-conserving generalized Langevin dynamics. GLE, NSO
66  2019 Model reduction of rigid-body molecular dynamics via generalized multipole potentials. ---
67  2019 Modeling Interactions between Liposomes and Hydrophobic Nanosheets. MD
68  2019 MOLC. A reversible coarse grained approach using anisotropic beads for the modelling of organic functional materials. ---
69  2019 Molecular dynamics simulation of thermo-mechanical behaviour of elastomer cross-linked via multifunctional zwitterions. Tg, VMD, ZCLs
70  2019 Multiconfigurational Coarse-Grained Molecular Dynamics. MCCG
71  2019 Parametrization of MARTINI for Modeling Hinging Motions in Membrane Proteins. TM
72  2019 pH-Dependent aggregation and pH-independent cell membrane adhesion of monolayer-protected mixed charged gold nanoparticles. ---
73  2019 Phase Equilibria Modeling with Systematically Coarse-Grained Models-A Comparative Study on State Point Transferability. ---
74  2019 Pitfalls of the Martini Model. ---
75  2019 Relative entropy indicates an ideal concentration for structure-based coarse graining of binary mixtures. IMC, LJ
76  2019 Revisiting the protomotive vectorial motion of F0-ATPase. ---
77  2019 Self-Assembly of Polymer-Encased Lipid Nanodiscs and Membrane Protein Reconstitution. MD, SMAEA
78  2019 Simple Simulation Model for Exploring the Effects of Solvent and Structure on Asphaltene Aggregation. ---
79  2019 Styrene/Maleic Acid Copolymers Form SMALPs by Pulling Lipid Patches out of the Lipid Bilayer. MD, SMA, SMALPs
80  2019 Systematic Coarse-Grained Lipid Force Fields with Semiexplicit Solvation via Virtual Sites. DOPC, DPPC, MS-CG, REM, VCG
81  2019 Systematic study of temperature and density variations in effective potentials for coarse-grained models of molecular liquids. PMF
82  2019 The multi-dimensional generalized Langevin equation for conformational motion of proteins. GLE
83  2019 The SIRAH 2.0 Force Field: Altius, Fortius, Citius. CaM
84  2019 Top-down Multiscale Approach To Simulate Peptide Self-Assembly from Monomers. AA
85  2019 Toward Multiscale Modeling of Proteins and Bioagglomerates: An Orientation-Sensitive Diffusion Model for the Integration of Molecular Dynamics and the Discrete Element Method. DEM, MD, MDEM
86  2019 Transferability of Local Density-Assisted Implicit Solvation Models for Homogeneous Fluid Mixtures. LD
87  2019 tSPICA: Temperature- and Pressure-Dependent Coarse-Grained Force Field for Organic Molecules. ---
88  2019 Understanding Missing Entropy in Coarse-Grained Systems: Addressing Issues of Representability and Transferability. FG, PMF
89  2018 A coarse grained molecular dynamics simulation study on the structural properties of carbon nanotube-dendrimer composites. CNT, FTA, MD
90  2018 A multiscale scheme for simulating polymer Tg. AA, MD, Tg
91  2018 A nucleobase-centered coarse-grained representation for structure prediction of RNA motifs. SPQR
92  2018 A structural coarse-grained model for clays using simple iterative Boltzmann inversion. ---
93  2018 A systematic analysis of nucleosome core particle and nucleosome-nucleosome stacking structure. NCPs
94  2018 Accuracy, Transferability, and Efficiency of Coarse-Grained Models of Molecular Liquids. IECG
95  2018 Addressing the temperature transferability of structure based coarse graining models. DA, DN, IMC
96  2018 Advances in coarse-grained modeling of macromolecular complexes. ---
97  2018 Application of a coupled smoothed particle hydrodynamics (SPH) and coarse-grained (CG) numerical modelling approach to study three-dimensional (3-D) deformations of single cells of different food-plant materials during drying. SPH
98  2018 Application of a Novel Coarse-Grained Soil Organic Matter Model in the Environment. DPD, HCB, HCBD, PFSAs, SOM
99  2018 Ballistic Performance of Nanostructured Metals Toughened by Elliptical Coarse-Grained Inclusions: A Finite Element Study with Failure Analysis. NS
100  2018 BOCS: Bottom-up Open-source Coarse-graining Software. g-YBG, MS-CG