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pro vyhledávání: '"Žemla P"'
Autor:
Postepski, Filip, Wojcik, Grzegorz M., Wrobel, Krzysztof, Kawiak, Andrzej, Zemla, Katarzyna, Sedek, Grzegorz
The Guided Imagery technique is reported to be used by therapists all over the world in order to increase the comfort of patients suffering from a variety of disorders from mental to oncology ones and proved to be successful in numerous of ways. Poss
Externí odkaz:
http://arxiv.org/abs/2405.16901
Autor:
Stevenson, Garrett A., Jones, Derek, Kim, Hyojin, Bennett, W. F. Drew, Bennion, Brian J., Borucki, Monica, Bourguet, Feliza, Epstein, Aidan, Franco, Magdalena, Harmon, Brooke, He, Stewart, Katz, Max P., Kirshner, Daniel, Lao, Victoria, Lau, Edmond Y., Lo, Jacky, McLoughlin, Kevin, Mosesso, Richard, Murugesh, Deepa K., Negrete, Oscar A., Saada, Edwin A., Segelke, Brent, Stefan, Maxwell, Torres, Marisa W., Weilhammer, Dina, Wong, Sergio, Yang, Yue, Zemla, Adam, Zhang, Xiaohua, Zhu, Fangqiang, Lightstone, Felice C., Allen, Jonathan E.
Structure-based Deep Fusion models were recently shown to outperform several physics- and machine learning-based protein-ligand binding affinity prediction methods. As part of a multi-institutional COVID-19 pandemic response, over 500 million small m
Externí odkaz:
http://arxiv.org/abs/2104.04547
Publikováno v:
Phys. Rev. E 104, 024409 (2021)
The syndecans represent an ongoing research field focused on their regulatory roles in normal and pathological conditions. Syndecan's role in cancer progression becomes well-documented, implicating their importance in diagnosis and even proposing var
Externí odkaz:
http://arxiv.org/abs/2102.05491
Autor:
Wróbel, Jan S., Zemła, Marcin R., Nguyen-Manh, Duc, Olsson, Pär, Messina, Luca, Domain, Christophe, Wejrzanowski, Tomasz, Dudarev, Sergei L.
Publikováno v:
Computational Materials Science 194 (2021) 110435
Point defects in body-centred cubic Fe, Cr and concentrated random magnetic Fe-Cr are investigated using density functional theory and theory of elasticity. The volume of a substitutional Cr atom in ferromagnetic bcc Fe is approximately 18\% larger t
Externí odkaz:
http://arxiv.org/abs/2007.15424
Electronic structure and magneto-optical properties of silicon-nitrogen-vacancy complexes in diamond
Autor:
Zemła, Marcin Roland, Czelej, Kamil, Kamińska, Paulina, Van de Walle, Chris G., Majewski, Jacek A.
Publikováno v:
Phys. Rev. B 102, 115102 (2020)
The silicon-vacancy (SiV) and nitrogen-vacancy (NV) centers in diamond are commonly regarded as prototypical defects for solid-state quantum information processing. Here we show that when silicon and nitrogen are simultaneously introduced into the di
Externí odkaz:
http://arxiv.org/abs/2006.11878
Autor:
Jones, Derek, Kim, Hyojin, Zhang, Xiaohua, Zemla, Adam, Stevenson, Garrett, Bennett, William D., Kirshner, Dan, Wong, Sergio, Lightstone, Felice, Allen, Jonathan E.
Predicting accurate protein-ligand binding affinity is important in drug discovery but remains a challenge even with computationally expensive biophysics-based energy scoring methods and state-of-the-art deep learning approaches. Despite the recent a
Externí odkaz:
http://arxiv.org/abs/2005.07704
Publikováno v:
J. Phys. Chem. C 2020, 124, 50, 27645-27655
Graphene - transition metal phthalocyanine (G-MPc) hybrid systems constitute promising platforms for densely-packed single-molecule magnets (SMMs). Here, we selected iron(II) phthalocyanine (FePc) and investigated its interaction with pristine and de
Externí odkaz:
http://arxiv.org/abs/2003.03189
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