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⇧ RWTH Aachen ⇧

Recent Publications

All known publications ...
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http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Dissertation / PhD Thesis Malapally, N.RWTH* ; Carloni, P. (Thesis advisor)RWTH* ; Fyta, M. (Thesis advisor)RWTH*
Exascale-ready molecular dynamics simulations with efficient algorithms for extreme core counts
Aachen : RWTH Aachen University 1 Online-Ressource : Illustrationen (2026) [10.18154/RWTH-2026-00768]2026 = Dissertation, RWTH Aachen University, 2026     Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article/Contribution to a book Xie, S.RWTH* ; Zuo, K. (Corresponding author) ; De Rubeis, S. ; Bonollo, G. ; Colombo, G. ; Ruggerone, P. (Corresponding author) ; Carloni, P. (Corresponding author)RWTH*
Common characteristics of variants linked to autism spectrum disorder in the WAVE regulatory complex
Frontiers in computational neuroscience 19, 1704350 (2025) [10.3389/fncom.2025.1704350] special issue: "Simulating Developmental Neurobiology / Topic editors: Suman Saha, Han Lu, Ruben A. Tikidji-Hamburyan"2025     Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Hoang, G. L.RWTH* ; Röck, M. ; Tancredi, A. ; Magauer, T. ; Mandelli, D. ; Schulz, J. B.RWTH* ; Krauss, S. ; Rossetti, G.RWTH* ; Tollinger, M. (Corresponding author) ; Carloni, P. (Corresponding author)RWTH*
Refining Ligand Poses in RNA/Ligand Complexes of Pharmaceutical Relevance: A Perspective by QM/MM Simulations and NMR Measurements
The journal of physical chemistry letters 16(7), 1702-1708 (2025) [10.1021/acs.jpclett.4c03456]2025     Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Dissertation / PhD Thesis Sudha Bhagavath Eswaran, V.RWTH* ; Carloni, P. (Thesis advisor)RWTH* ; Lampert, A. (Thesis advisor)RWTH* ; Zimmer-Bensch, G. M. (Thesis advisor)RWTH*
Naᵥ-igating voltage-gated sodium channels : structure, biophysics and modulation
Aachen : RWTH Aachen University 1 Online-Ressource : Illustrationen (2025) [10.18154/RWTH-2025-09943]2025 = Dissertation, RWTH Aachen University, 2025     Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Reichard, J.RWTH* ; Wolff, P. J. R.RWTH* ; Xie, S.RWTH* ; Zuo, K. ; Fullio, C. L. ; Du, J.RWTH* ; Graff, S. ; Linde, J. R. N.RWTH* ; Yildiz, C. B.RWTH* ; Pitschelatow, G.RWTH* ; Nabbefeld, G.RWTH* ; Dorp, L.RWTH* ; Vollmer, J.RWTH* ; Biemans, L.RWTH* ; Kempf, S.RWTH* ; Singh, M. ; Mohan, K. N. ; Kuo, C.-C.RWTH* ; Vogel, T. ; Carloni, P.RWTH* ; Musall, S. F.RWTH* ; Zimmer-Bensch, G. M. (Corresponding author)RWTH*
DNMT1-mediated regulation of somatostatin-positive interneuron migration impacts cortical architecture and function
Nature Communications 16, 6834 (2025) [10.1038/s41467-025-62114-0]2025     Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Preprint Reichard, J.RWTH* ; Wolff, P. J. R.RWTH* ; Xie, S.RWTH* ; Zuo, K. ; Fullio, C. L. ; Du, J.RWTH* ; Graff, S.RWTH* ; Linde, J. R. N.RWTH* ; Yildiz, C. B.RWTH* ; Pitschelatow, G.RWTH* ; Nabbefeld, G.RWTH* ; Dorp, L.RWTH* ; Vollmer, J.RWTH* ; Biemans, L.RWTH* ; Kempf, S.RWTH* ; Singh, M. ; Mohan, K. N. ; Kuo, C.-C.RWTH* ; Vogel, T. ; Carloni, P.RWTH* ; Musall, S. F.RWTH* ; Zimmer-Bensch, G. M.RWTH*
DNMT1-Mediated Regulation of Somatostatin-positive Interneuron Migration Impacts Cortical Architecture and Function
38 Seiten (2024) [10.1101/2024.09.04.611268]2024   BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Paiva, P. ; Ippoliti, E. ; Carloni, P.RWTH* ; Fernandes, P. A. ; Ramos, M. J. (Corresponding author)
Atomistic adsorption of PETase onto large-scale PET 3D-models that mimic reality
Physical chemistry, chemical physics : PCCP 27(4), 2139-2150 (2025) [10.1039/D4CP03488K]2025   BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article de Bruyn, E.RWTH* ; Dorn, A. E. ; Rossetti, G. (Corresponding author)RWTH* ; Fernandez, C. ; Outeiro, T. F. ; Schulz, J. B.RWTH* ; Carloni, P.RWTH*
Impact of Phosphorylation on the Physiological Form of Human alpha-Synuclein in Aqueous Solution
Journal of chemical information and modeling 64(21), 8215-8226 (2024) [10.1021/acs.jcim.4c01172]2024     Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Abstract/Contribution to a conference proceedings Bongartz, T.RWTH* ; Piergentili, A. ; Rossetti, G.RWTH* ; Behr, M.RWTH*
Space-Time Finite Element Methods for Investigating the Role of Prothrombin Mutations in Thrombus Formation
2024NHR Conference'24 : computational engineering, materials science, simulation & AI : 09.09.24-10.09.24, Darmstadt : book of abstracts / [Verein für Nationales Hochleistungsrechnen - NHR-Verein e.V.]
2. NHR Conference, DarmstadtDarmstadt, Germany, 9 Sep 2024 - 10 Sep 20242024-09-092024-09-10 Berlin : Verein für Nationales Hochleistungsrechnen - NHR-Verein e.V. CT-CE-01, 1 Seite (2024)2024     Files  Fulltext BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Dissertation / PhD Thesis Raghavan, B.RWTH* ; Carloni, P. (Thesis advisor)RWTH* ; Spehr, M. (Thesis advisor)RWTH*
High performance computing-based QM/MM simulations for drug design: application to the non-invasive diagnosis of IDH1-associated glioma
Aachen : RWTH Aachen University 1 Online-Ressource : Illustrationen (2024) [10.18154/RWTH-2024-07554]2024 = Dissertation, RWTH Aachen University, 2024     Files BibTeX | EndNote: XML, Text | RIS

All known publications ...
Download: BibTeX | EndNote XML,  Text | RIS |