Zobrazeno 1 - 10
of 362
pro vyhledávání: '"Force matching"'
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
Publikováno v:
Journal of NeuroEngineering and Rehabilitation, Vol 19, Iss 1, Pp 1-16 (2022)
Abstract Background Oxaliplatin (OX) chemotherapy for colorectal cancer is associated with adverse neurotoxic effects that can contribute to long-term sensorimotor impairments in cancer survivors. It is often thought that the sensorimotor impairments
Externí odkaz:
https://doaj.org/article/44cb7ac048444265be27bd982a75ce69
Akademický článek
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Akademický článek
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Publikováno v:
Water, Vol 14, Iss 12, p 1957 (2022)
In river management, it is important to obtain ice velocity quickly and accurately during ice flood periods. However, traditional ice velocity monitoring methods require buoys, which are costly and inefficient to distribute. It was found that UAV rem
Externí odkaz:
https://doaj.org/article/11f0f29f78234a61aab379eb21370a5c
Autor:
Tiedong Sun, Vishal Minhas, Nikolay Korolev, Alexander Mirzoev, Alexander P. Lyubartsev, Lars Nordenskiöld
Publikováno v:
Frontiers in Molecular Biosciences, Vol 8 (2021)
Recent advances in methodology enable effective coarse-grained modeling of deoxyribonucleic acid (DNA) based on underlying atomistic force field simulations. The so-called bottom-up coarse-graining practice separates fast and slow dynamic processes i
Externí odkaz:
https://doaj.org/article/836203233b1c4b439c37f67214f14421
Akademický článek
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Autor:
Kim, Bryant
Indiana University-Purdue University Indianapolis (IUPUI)
In this thesis, we present novel computational methods and frameworks to address the challenges associated with the determination of free energy profiles for condensed-phase chemical reac
In this thesis, we present novel computational methods and frameworks to address the challenges associated with the determination of free energy profiles for condensed-phase chemical reac
Externí odkaz:
https://hdl.handle.net/1805/33379
Publikováno v:
Symmetry, Vol 13, Iss 11, p 2226 (2021)
The study aimed to investigate the impact of a 12-week strength training program on force accuracy and steadiness changes in lower limbs in young healthy men. Twenty subjects with a dominant right lower limb were included. They performed a force matc
Externí odkaz:
https://doaj.org/article/db66f3476b6a42489de88e4850da4774
Autor:
Gaza, Jokent T., Nellas, RIcky B.
Topologies, initial coordinates, input files, and cluster structures for the MD simulations of the studyReparameterization of Non-bonded Parameters for Copper Ions in Plastocyanin: An Adaptive Force Matching Study.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::677dd72fc1883b545be9840594bac949