Výsledky vyhledávání - "Vrettas, Michail D."

Dissertation/ Thesis

Approximate Bayesian techniques for inference in stochastic dynamical systems

Autor: Vrettas, Michail D.

This thesis is concerned with approximate inference in dynamical systems, from a variational Bayesian perspective. When modelling real world dynamical systems, stochastic differential equations appear as a natural choice, mainly because of their abil

Externí odkaz: http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.544606

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Akademický článek

MetalHawk: Enhanced Classification of Metal Coordination Geometries by Artificial Neural Networks.

Autor: Sgueglia, Gianmattia, Vrettas, Michail D., Chino, Marco, De Simone, Alfonso, Lombardi, Angela

Publikováno v: Journal of Chemical Information & Modeling; 4/8/2024, Vol. 64 Issue 7, p2356-2367, 12p

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Akademický článek

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Enhancing Biomolecular Simulations with Hybrid Potentials Incorporating NMR Data

Autor: Qi, Guowei, Vrettas, Michail D., Biancaniello, Carmen, Sanz-Hernandez, Maximo, Cafolla, Conor T., Morgan, John W. R., Wang, Yifei, De Simone, Alfonso, Wales, David J.

Publikováno v: Journal of Chemical Theory and Computations

Some recent advances in biomolecular simulation and global optimization have used hybrid restraint potentials, where harmonic restraints that penalize conformations inconsistent with experimental data are combined with molecular mechanics force field

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::58493068e91417170b6d9f102cf97711
https://doi.org/10.1021/acs.jctc.2c00657

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