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Published Articles with Keyword: MD simulations
- Title: Integrating Mathematical and Computational Biochemistry with an Exploration of the Toxicological and Physical Dimensions of Novichok Agents: A QSAR and Molecular Dynamics Investigation
Authors: Antonios Koufou, Pantelis Alexandros Roypas, Georgios Nikolaou, Michail Chalaris
Doi: 10.37394/232023.2024.4.14
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Published in Molecular Sciences and Applications, Volume 4, 2024 - Title: Computational Investigation of the Ionic Conductance through Molybdenum Disulfide (MoS2) Nanopores
Authors: Marıa Daniela Barrios Perez, Patrick Senet, Vincent Meunier, Adrien Nicola
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Published in WSEAS Transactions on Circuits and Systems, Volume 16, 2017