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Polymer, ISSN 0032-3861, 2015, Volume 69, Issue 1, pp. 25 - 38
In this paper, we combined structure-based and thermodynamic quantities-based coarse-graining (CG) approaches and adopted the bulk density, local... 
Coarse-grained model | Molecular dynamics | Polybutadiene
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 04/2015, Volume 112, Issue 16, pp. 5033 - 5038
Journal Article
Biochimie, ISSN 0300-9084, 01/2016, Volume 120, pp. 105 - 109
Glycolipids are key components of mammalian cell membranes, influencing a diverse range of cellular functions. For example, a number of receptor tyrosine... 
Membranes | Glycolipids | Molecular dynamics | Coarse-grained
Journal Article
Materials Science and Engineering: A, ISSN 0921-5093, 01/2020, Volume 772, p. 138764
Journal Article
Powder Technology, ISSN 0032-5910, 11/2019
Journal Article
Physical Review Letters, ISSN 0031-9007, 06/2015, Volume 114, Issue 23, p. 238002
Several theoretical predictions of the mass flow rate of granular media discharged from a silo are based on the spontaneous development of a free-fall arch... 
PHYSICS, MULTIDISCIPLINARY | GRANULAR FLOW | OUTLET | HOPPER
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 10/2014, Volume 136, Issue 41, pp. 14554 - 14559
The detailed organization of cellular membranes remains rather elusive. Based on large-scale molecular dynamics simulations, we provide a high-resolution view... 
DOMAIN FORMATION | COMPUTATIONAL MICROSCOPE | VESICLES | COARSE-GRAINED MODEL | FORCE-FIELD | PHOSPHOLIPIDS | MOLECULAR VIEW | BILAYERS | SIMULATIONS | QUANTITATIVE-ANALYSIS | CHEMISTRY, MULTIDISCIPLINARY | Cell Membrane - chemistry | Lipids - chemistry | Molecular Dynamics Simulation | Lipid membranes | Analysis | Cell membranes
Journal Article
Scientific Reports, ISSN 2045-2322, 01/2016, Volume 6, Issue 1, p. 19660
We compare several adaptive design strategies using a data set of 223 M(2)AX family of compounds for which the elastic properties [bulk (B), shear (G), and... 
CLASSIFICATION | OPTIMIZATION | GENE | MULTIDISCIPLINARY SCIENCES | INFORMATICS | PREDICTION | Mechanical properties | Learning algorithms | coarse-grained models | computational methods | MATERIALS SCIENCE
Journal Article
Faraday Discussions, ISSN 1359-6640, 2009, Volume 144, pp. 301 - 322
Journal Article
FARADAY DISCUSSIONS, ISSN 1359-6640, 2010, Volume 144, pp. 301 - 322
An operational procedure is presented to compute explicitly the different terms in the generalized Langevin equation (GLE) for a few relevant variables... 
STATISTICAL-MECHANICS | DISSIPATIVE PARTICLE DYNAMICS | COARSE-GRAINED MODEL | CHEMISTRY, PHYSICAL | SYSTEMS | FORCES | SIMULATIONS | POTENTIALS
Journal Article
Colloids and Surfaces A: Physicochemical and Engineering Aspects, ISSN 0927-7757, 11/2017, Volume 533, pp. 140 - 146
The pH-induced demulsification behaviors of “on-off” oil-in-water emulsions using cetyltrimethylammonium bromide (CTAB) and potassium phthalic acid (PPA)... 
Coarse-grained molecular dynamics simulation | CTAB/PPA | Emulsion | pH-responsive
Journal Article
Journal of Visual Communication and Image Representation, ISSN 1047-3203, 11/2019, p. 102717
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 01/2008, Volume 130, Issue 1, pp. 10 - 11
Recent neutron scattering experiments showed a striking manifestation of the aversion between polyunsaturated fatty acid (PUFA)-containing lipids and... 
ORGANIZATION | ORDER | DOCOSAHEXAENOIC ACID | COARSE-GRAINED MODEL | SIMULATIONS | BILAYERS | PHOSPHOLIPID-MEMBRANES | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
Nature communications, ISSN 2041-1723, 05/2019, Volume 10, Issue 1, pp. 2381 - 11
Solutions of proteins and other molecules exhibit puzzling, mesoscopically sized inclusions of a solute-rich liquid, well outside the region of stability of... 
Variations | Droplets | Ostwald ripening | Inclusions | Internal pressure
Journal Article
The journal of physical chemistry. B, ISSN 1520-6106, 9/2016, Volume 120, Issue 34, pp. 8873 - 8881
The cytoskeleton underlying cell membranes may influence the dynamic organization of proteins and lipids within the bilayer by immobilizing certain... 
Molecular dynamics | Cytoskeleton | protein clustering | Coarse-grained | Diffusion
Journal Article
Journal of the Mechanics and Physics of Solids, ISSN 0022-5096, 12/2019, Volume 133, p. 103722
Crumpling of suspended two-dimensional (2D) materials by droplet evaporation creates a new form of aggregation-resistant ultrafine particles with more scalable... 
Crumpling | Coarse-grained modeling | Self-assembling | Aerosol-like evaporation | 2D materials | Spring-slider model
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 09/2016, Volume 113, Issue 37, pp. 10346 - 10351
Journal Article
Applied Surface Science, ISSN 0169-4332, 11/2019, p. 144658
Journal Article
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