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Theoretical and Computational Chemistry

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Zoe Cournia

5 results in Authors: Zoe Cournia

Theoretical and Computational Chemistry

Evaluating the Efficiency of the Martini Force Field to Study Protein Dimerization in Aqueous and Membrane Environments

Christos Lamprakis, Ioannis Andreadelis, John Manchester, Camilo Velez-Vega, José S. Duca, Zoe Cournia

Version 1 posted 26 April 2021

617

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Theoretical and Computational Chemistry

NanoCrystal: A Web-Based Crystallographic Tool for the Construction of Nanoparticles Based on Their Crystal Habit

Zoe Cournia, Dimitris Dellis, Alexios Chatzigoulas, konstantina karathanou

Version 1 posted 15 October 2018

1,681

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Biological and Medicinal Chemistry

ChemBioServer 2.0: An Advanced Web Server for Filtering, Clustering and Networking of Chemical Compounds Facilitating Both Drug Discovery and Repurposing

Evangelos Karatzas, Juan Eiros Zamora, Emmanouil Athanasiadis, Dimitris Dellis, Zoe Cournia, George Spyrou

Version 1 posted 08 July 2019

786

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Theoretical and Computational Chemistry

Membrane Composition and Raf[CRD]-Membrane Attachment Are Driving Forces for K-Ras4B Dimer Stability

Zoe Cournia, Ioannis Andreadelis, Sofia Kiriakidi, Christos Lamprakis, Anastasia Theodoropoulou, Stefan Doerr, Alexios Chatzigoulas, John Manchester, Camilo Velez-Vega, José Duca

Version 2 posted 09 February 2022

348

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Biological and Medicinal Chemistry

Machine learning approaches in predicting allosteric sites

Francho Nerín-Fonz, Zoe Cournia

Version 1 posted 17 January 2024

291

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