Zobrazeno 1 - 10
of 2 944
pro vyhledávání: '"coarse-graining"'
Autor:
Nitzan, Abraham
Publikováno v:
Chemical Dynamics in Condensed Phases: Relaxation, Transfer, and Reactions in Condensed Molecular Systems.
Externí odkaz:
https://doi.org/10.1093/9780191947971.003.0001
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-24 (2024)
Abstract Weak form equation learning and surrogate modeling has proven to be computationally efficient and robust to measurement noise in a wide range of applications including ODE, PDE, and SDE discovery, as well as in coarse-graining applications,
Externí odkaz:
https://doaj.org/article/72345f376e20454c947e83bc989abfc3
Autor:
Aritz B. García‐Arribas, Pablo Ibáñez‐Freire, Diego Carlero, Pablo Palacios‐Alonso, Miguel Cantero‐Reviejo, Pablo Ares, Guillermo López‐Polín, Han Yan, Yan Wang, Soumya Sarkar, Manish Chhowalla, Hanna M. Oksanen, Jaime Martín‐Benito, Pedro J. de Pablo, Rafael Delgado‐Buscalioni
Publikováno v:
Advanced Science, Vol 11, Iss 41, Pp n/a-n/a (2024)
Abstract Coronavirus stands for a large family of viruses characterized by protruding spikes surrounding a lipidic membrane adorned with proteins. The present study explores the adhesion of transmissible gastroenteritis coronavirus (TGEV) particles o
Externí odkaz:
https://doaj.org/article/d6182c7e743b4059a3bf8d330057d4f0
Publikováno v:
مهندسی مکانیک شریف, Vol 40, Iss 1, Pp 39-46 (2024)
Using coarse-grained molecular dynamics (CGMD), the simulations of the nanostructures are performed considerably faster and with low computational costs. In the present study, a coarse-grained model is proposed for describing the surface assembly of
Externí odkaz:
https://doaj.org/article/5112cae28c0344bf96ca0886da905eca
Publikováno v:
Molecular Systems Biology, Vol 20, Iss 7, Pp 744-766 (2024)
Abstract The advent of high-throughput single-cell genomics technologies has fundamentally transformed biological sciences. Currently, millions of cells from complex biological tissues can be phenotypically profiled across multiple modalities. The sc
Externí odkaz:
https://doaj.org/article/b35a19cc1d0843248f71d65ab92b1c1e
Publikováno v:
Journal of Advances in Modeling Earth Systems, Vol 16, Iss 5, Pp n/a-n/a (2024)
Abstract Scale analysis based on coarse‐graining has been proposed recently as an alternative to Fourier analysis. It requires interpolation to a regular mesh for data from unstructured‐mesh models. We propose an alternative coarse‐graining met
Externí odkaz:
https://doaj.org/article/9369c1db7ae04fb4a0f852188984d638
Publikováno v:
Frontiers in Soft Matter, Vol 4 (2024)
The process of self-assembly of biomolecules underlies the formation of macromolecular assemblies, biomolecular materials and protein folding, and thereby is critical in many disciplines and related applications. This process typically spans numerous
Externí odkaz:
https://doaj.org/article/db9f14e41d0a4e6eaaf731fac01b9ac5
Publikováno v:
Materials & Design, Vol 240, Iss , Pp 112831- (2024)
This paper presents a United Atom (UA) force field for simulating hydrocarbon molecules in bituminous materials, integrating explicit hydrogens into beads with their parent atom. This method simplifies all-atom molecular models, significantly acceler
Externí odkaz:
https://doaj.org/article/279f508f4a1c4190b9fae8f2d4aba79c
Autor:
Michel Moreau, Bernard Gaveau
Publikováno v:
AIMS Mathematics, Vol 8, Iss 11, Pp 26328-26342 (2023)
Unless an appropriate dissipation mechanism is introduced in its evolution, a deterministic system generally does not tend to equilibrium. However, coarse-graining such a system implies a mesoscopic representation which is no longer deterministic. Th
Externí odkaz:
https://doaj.org/article/e9840a80388c450f961bfb4fbd50e7d9
