Zobrazeno 1 - 10
of 27
pro vyhledávání: '"Jakub Rydzewski"'
Publikováno v:
Machine Learning: Science and Technology, Vol 4, Iss 3, p 031001 (2023)
Analyzing large volumes of high-dimensional data requires dimensionality reduction: finding meaningful low-dimensional structures hidden in their high-dimensional observations. Such practice is needed in atomistic simulations of complex systems where
Externí odkaz:
https://doaj.org/article/2622e815ea374bc9bfbc9dd7b46aabce
Autor:
Juan Francisco Carrascoza Mayén, Jakub Rydzewski, Natalia Szostak, Jacek Blazewicz, Wieslaw Nowak
Publikováno v:
Life, Vol 9, Iss 2, p 46 (2019)
The catalytic effects of complex minerals or meteorites are often mentioned as important factors for the origins of life. To assess the possible role of nanoconfinement within a catalyst consisting of montmorillonite (MMT) and the impact of local ele
Externí odkaz:
https://doaj.org/article/6498e9ce8c8f4b87b64d89711149a76b
Autor:
Jakub Rydzewski
Publikováno v:
The Journal of Physical Chemistry Letters. 14:2778-2783
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8a184751319f1a8d5cb34b13a0c93aa7
https://doi.org/10.1021/acs.jpclett.3c00265
https://doi.org/10.1021/acs.jpclett.3c00265
Publikováno v:
Journal of Chemical Theory and Computation. 18:7179-7192
Enhanced sampling methods are indispensable in computational physics and chemistry, where atomistic simulations cannot exhaustively sample the high-dimensional configuration space of dynamical systems due to the sampling problem. A class of such enha
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::285b0880dc17dc4d83f8ddd37ed25936
https://doi.org/10.1021/acs.jctc.2c00873
https://doi.org/10.1021/acs.jctc.2c00873
Publikováno v:
International Journal of Molecular Sciences; Volume 24; Issue 12; Pages: 10334
Diseases spread by mosquitoes lead to the death of 700,000 people each year. The main way to reduce transmission is vector control by biting prevention with chemicals. However, the most commonly used insecticides lose efficacy due to the growing resi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=multidiscipl::8a999daf76d2219178b6c1706d589802
Diseases spread by mosquitoes lead to death of 700,000 people each year. The main way to reduce transmission is vector control by biting prevention with chemicals. However, the most commonly used insecticides lose efficacy due to the growing resistan
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9f64cba66ba0b7bac9ea84927ad80db2
https://doi.org/10.1101/2023.03.29.534712
https://doi.org/10.1101/2023.03.29.534712
Publikováno v:
The Journal of Physical Chemistry B. 126:2647-2657
The ability of phytochromes to act as photoswitches in plants and microorganisms depends on interactions between a bilin-like chromophore and a host protein. The interconversion occurs between the spectrally distinct red (Pr) and far-red (Pfr) confor
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::283859edb39fd8d58399c46e5f67fab1
https://doi.org/10.1021/acs.jpcb.2c00131
https://doi.org/10.1021/acs.jpcb.2c00131
Publikováno v:
Physical Chemistry Chemical Physics. 24:4366-4373
The formation of protein aggregates is one of the leading causes of neuronal malfunction and subsequent brain damage in many neurodegenerative diseases. In Parkinson's disease, α-synucleins are involved in the accumulation of aggregates. The origin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cddce7cd67ace2ac6dc44ae30b17bf59
https://doi.org/10.1039/d1cp05238a
https://doi.org/10.1039/d1cp05238a
Autor:
Jakub Rydzewski, Omar Valsson
Publikováno v:
The Journal of Physical Chemistry. a
The Journal of Physical Chemistry A
The Journal of Physical Chemistry A
Machine learning methods provide a general framework for automatically finding and representing the essential characteristics of simulation data. This task is particularly crucial in enhanced sampling simulations. There we seek a few generalized degr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6ff3de4b006b84ab449f54714b0d3781
https://doi.org/10.1021/acs.jpca.1c02869
https://doi.org/10.1021/acs.jpca.1c02869
The ability of phytochromes to act as photoswitches in plants and microorganisms depends on interactions between a bilin-like chromophore and a protein. The interconversion occurs between the spectrally distinct red (Pr) and far-red (Pfr) conformers.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e9153eff4c43fcd2acbc0fd83751a293
https://doi.org/10.26434/chemrxiv-2021-n8hlc-v2
https://doi.org/10.26434/chemrxiv-2021-n8hlc-v2