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Publikováno v:
Langmuir. 28:3412-3419
The goal of this work is to study via molecular simulations the wetting kinetics of a rough surface by an oily fluid. We use forward flux sampling to compute the wetting transition rate and elucidate the transition mechanism of a small droplet on a s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ba2d7ec7962a9e09214bad968c975568
https://doi.org/10.1021/la203921h
https://doi.org/10.1021/la203921h
Autor:
Xudong Wang, Cheng Huang
Publikováno v:
IEEE Transactions on Mobile Computing. 22:1867-1879
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4c713003bc9f557db34324a184aa2295
https://doi.org/10.1109/tmc.2021.3118958
https://doi.org/10.1109/tmc.2021.3118958
Publikováno v:
IEEE Transactions on Visualization and Computer Graphics. 29:1785-1798
3D reconstruction from single-view images is a long-standing research problem. To date, there are various methods based on point clouds and volumetric representations. In spite of success in 3D models generation, it is quite challenge for these appro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7eb9553cf31b472071b1947ec6b9c41b
https://doi.org/10.1109/tvcg.2021.3131712
https://doi.org/10.1109/tvcg.2021.3131712
Publikováno v:
IEEE Transactions on Visualization and Computer Graphics. 28:4360-4374
Searching similarity between a pair of shapes or data is an important problem in data analysis and visualization. The problem of computing similarity measures using scalar topology has been studied extensively and proven useful in the shape and data
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d374270ddb59294cbab236ce96191513
https://doi.org/10.1109/tvcg.2021.3087273
https://doi.org/10.1109/tvcg.2021.3087273
Publikováno v:
Combinatorial Chemistry & High Throughput Screening. 25:568-578
Background: Sierpinski graphs !(!, !) are largely studied because of their fractal nature with applications in topology, chemistry, mathematics of Tower of Hanoi and computer sciences. Applications of molecular structure descriptors are a standard pr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1ff013656a1fff0382fe2e4d463a9cb9
https://doi.org/10.2174/1386207324666210713114755
https://doi.org/10.2174/1386207324666210713114755
Publikováno v:
Green Energy & Environment. 7:1062-1070
Metal–organic frameworks (MOFs) containing open metal sites are important materials for acetylene (C2H2) adsorption. However, it is inefficient or even impossible to search suitable MOFs by molecular simulation method in nearly infinite MOFs space.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::037cc68a19d147b98df0d0c91fe6b46e
https://doi.org/10.1016/j.gee.2021.01.006
https://doi.org/10.1016/j.gee.2021.01.006
Publikováno v:
IEEE Journal of Biomedical and Health Informatics. 26:5044-5054
Studying the deep learning-based molecular representation has great significance on predicting molecular property, promoted the development of drug screening and new drug discovery, and improving human well-being for avoiding illnesses. It is essenti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c09c0160597e9620c917a93dd01ab1b6
https://doi.org/10.1109/jbhi.2021.3089162
https://doi.org/10.1109/jbhi.2021.3089162
Autor:
Jean-Louis Mergny, Petr Stadlbauer, Jielin Chen, Jiří Šponer, Jun Zhou, Mingpan Cheng, Huangxian Ju
Publikováno v:
CCS Chemistry
CCS Chemistry, 2021, pp.3232-3246. ⟨10.31635/ccschem.021.202101357⟩
CCS Chemistry, Chinese Chemical Society, 2021, pp.3232-3246. ⟨10.31635/ccschem.021.202101357⟩
CCS Chemistry, 2021, pp.3232-3246. ⟨10.31635/ccschem.021.202101357⟩
CCS Chemistry, Chinese Chemical Society, 2021, pp.3232-3246. ⟨10.31635/ccschem.021.202101357⟩
International audience; As nonclassical nucleic acid structures, G-quadruplexes (G4s) not only play important roles in gene regulation and stability maintenance, but are also widely used in nanotechnology. Structural diversity is one of the main fact
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::67e7975df5c4ae630a0a42db8917ae94
https://doi.org/10.31635/ccschem.021.202101357
https://doi.org/10.31635/ccschem.021.202101357
Publikováno v:
Catalysis Today. :89-94
Catalytic reactions always accompany steric and electronic effects. Due to the modulated structure and functionality, the surface charge of porous coordination cage can be tuned under the same topology. This provides a straightforward way to investig
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7deba9c767b5513b58c87355c688872c
https://doi.org/10.1016/j.cattod.2021.11.008
https://doi.org/10.1016/j.cattod.2021.11.008