Sami S - Search Results

1

Completely Multipolar Model as a General Framework for Many-Body Interactions as Illustrated for Water.

Heindel JP, Sami S, Head-Gordon T. Heindel JP, et al. Among authors: sami s. J Chem Theory Comput. 2024 Oct 8;20(19):8594-8608. doi: 10.1021/acs.jctc.4c00812. Epub 2024 Sep 17. J Chem Theory Comput. 2024. PMID: 39288266

2

M-Chem: a Modular Software Package for Molecular Simulation that Spans Scientific Domains.

Witek J, Heindel JP, Guan X, Leven I, Hao H, Naullage P, LaCour A, Sami S, Menger MFSJ, Cofer-Shabica DV, Berquist E, Faraji S, Epifanovsky E, Head-Gordon T. Witek J, et al. Among authors: sami s. Mol Phys. 2023;121(9-10):e2129500. doi: 10.1080/00268976.2022.2129500. Epub 2022 Oct 7. Mol Phys. 2023. PMID: 37470065 Free PMC article.

3

Simple and Accurate One-Body Energy and Dipole Moment Surfaces for Water and Beyond.

Sami S, LaCour RA, Heindel JP, Head-Gordon T. Sami S, et al. J Phys Chem Lett. 2024 Jul 4;15(26):6712-6721. doi: 10.1021/acs.jpclett.4c00587. Epub 2024 Jun 20. J Phys Chem Lett. 2024. PMID: 38900596 Free PMC article.

4

Reactive Martini: Chemical Reactions in Coarse-Grained Molecular Dynamics Simulations.

Sami S, Marrink SJ. Sami S, et al. J Chem Theory Comput. 2023 Jul 11;19(13):4040-4046. doi: 10.1021/acs.jctc.2c01186. Epub 2023 Jun 16. J Chem Theory Comput. 2023. PMID: 37327401 Free PMC article.

5

Q-Force: Quantum Mechanically Augmented Molecular Force Fields.

Sami S, Menger MFSJ, Faraji S, Broer R, Havenith RWA. Sami S, et al. J Chem Theory Comput. 2021 Aug 10;17(8):4946-4960. doi: 10.1021/acs.jctc.1c00195. Epub 2021 Jul 12. J Chem Theory Comput. 2021. PMID: 34251194 Free PMC article.

6

Capturing chemical reactions inside biomolecular condensates with reactive Martini simulations.

Brasnett C, Kiani A, Sami S, Otto S, Marrink SJ. Brasnett C, et al. Among authors: sami s. Commun Chem. 2024 Jul 4;7(1):151. doi: 10.1038/s42004-024-01234-y. Commun Chem. 2024. PMID: 38961263 Free PMC article.

7

Response to "Health-Related Quality of Life After Neonatal Treatment of Symptomatic Tetralogy of Fallot: Insights from the Congenital Cardiac Research Collaborative".

Hanif ZM, Murtaza M, Sami SZ, Nazir A, Venjhraj F. Hanif ZM, et al. Among authors: sami sz. Pediatr Cardiol. 2024 Nov 25. doi: 10.1007/s00246-024-03721-4. Online ahead of print. Pediatr Cardiol. 2024. PMID: 39585342

8

Clinical gerontological nursing competence among licensed practical nurses in healthcare services-A descriptive cross-sectional study.

Petra S, Sari PS, Merja M, Heidi S, Sami S, Anniina T, Eevi K, Anna-Maria T. Petra S, et al. Among authors: sami s. Scand J Caring Sci. 2024 Nov 18. doi: 10.1111/scs.13312. Online ahead of print. Scand J Caring Sci. 2024. PMID: 39556018

9

(Poly)phenol-rich grape and blueberry extract prevents LPS-induced disruption of the blood-brain barrier through the modulation of the gut microbiota-derived uremic toxins.

Connell E, Le Gall G, McArthur S, Lang L, Breeze B, Pontifex MG, Sami S, Pourtau L, Gaudout D, Müller M, Vauzour D. Connell E, et al. Among authors: sami s. Neurochem Int. 2024 Nov;180:105878. doi: 10.1016/j.neuint.2024.105878. Epub 2024 Oct 9. Neurochem Int. 2024. PMID: 39389472 Free article.

10

Exploring circulating MiRNA signature for osteosarcoma detection: Bioinformatics-based analyzing and validation.

Heidari N, Vosough M, Bagherifard A, Sami SH, Sarabi PA, Behmanesh A, Shams R. Heidari N, et al. Among authors: sami sh. Pathol Res Pract. 2024 Nov;263:155615. doi: 10.1016/j.prp.2024.155615. Epub 2024 Oct 1. Pathol Res Pract. 2024. PMID: 39378797

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