Simone Aureli
9 Papers
Simone Aureli is an academic researcher. The author has contributed to research in topics: Biology & Chemistry. The author has an hindex of 2, co-authored 3 publications.
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Papers
Subcellular location defines GPCR signal transduction
TL;DR: In this article , the recruitment of signal transducers to ORs in both compartments was investigated and it was shown that OR activation in the plasma membrane and Golgi apparatus has strikingly different downstream effects on transcription and protein phosphorylation.
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Open Binding Pose Metadynamics: An Effective Approach for the Ranking of Protein–Ligand Binding Poses
Dominykas Lukauskis,Marley L. Samways,Simone Aureli,Benjamin P. Cossins,Richard D. Taylor,Francesco Luigi Gervasio +5 more
TL;DR: OpenBPMD as discussed by the authors is an open-source Python reimplementation and reinterpretation of BPMD, powered by the OpenMM simulation engine and uses a revised scoring function.
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PLUMED Tutorials: A collaborative, community-driven learning ecosystem.
Gareth A. Tribello,Massimiliano Bonomi,Giovanni Bussi,Carlo Camilloni,Blake I Armstrong,Andrea Arsiccio,Simone Aureli,Federico Ballabio,Mattia Bernetti,Luigi Bonati,Samuel G. H. Brookes,Z. F. Brotzakis,Riccardo Capelli,Michele Ceriotti,Kam-Tung Chan,Pilar Cossio,Siva Dasetty,Davide Donadio,Bernd Ensing,Andrew L. Ferguson,Guillaume Fraux,Julian D. Gale,F. L. Gervasio,Toni Giorgino,Nicholas S M Herringer,Glen M. Hocky,Samuel Hoff,Michele Invernizzi,Olivier Languin-Cattoen,Vanessa Leone,Vittorio Limongelli,Olga Lopez-Acevedo,Fabrizio Marinelli,Pedro Febrer Martinez,Matteo Masetti,S.K. Mehdi,Angelos Michaelides,Mhd Hussein Murtada,Michele Parrinello,Paolo Piaggi,Adriana Pietropaolo,Fabio Pietrucci,S. Pipolo,Claire Pritchard,Paolo Raiteri,Stefano Raniolo,Daniele Rapetti,Valerio Rizzi,Jakub Rydzewski,Matteo Salvalaglio,Christoph Schran,Aniruddha Seal,Armin Shayesteh Zadeh,Tom'as F. D. Silva,V. Spiwok,Guillaume Stirnemann,D. Sucerquia,Pratyush Tiwary,Omar Valsson,Michele Vendruscolo,Gregory A. Voth,Andrew D. White,Jiangbo Wu +62 more
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A Transferable and Robust Computational Framework for Class A GPCR Activation Free Energies
Simone Aureli,Nicola Piasentin,Thorben Fröhlking,Valerio Rizzi,F. L. Gervasio +4 more