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4 results in Authors: Marco De Vivo

Biological and Medicinal Chemistry

Evolutionarily Conserved Allosteric Communication in Protein Tyrosine Phosphatases

Michael K. Hjortness, Laura Riccardi, Akarawin Hongdusit, Peter H. Zwart, Banumathi Sankaran, Marco De Vivo, Jerome Fox

Version 1 posted 03 October 2018

427

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Materials Science

Dispersion State Phase Diagram of Citrate-Coated Metallic Nanoparticles in Saline Solutions

Sebastian Franco Ulloa, Giuseppina Tatulli, Sigbjørn Løland Bore, Mauro Moglianetti, Pier Paolo Pompa, Michele Cascella, Marco De Vivo

Version 1 posted 23 April 2020

501

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Theoretical and Computational Chemistry

Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations

Bharath Raghavan, Mirko Paulikat, Katya Ahmad, Lara Callea, Andrea Rizzi, Emiliano Ippoliti, Davide Mandelli, Laura Bonati, Marco De Vivo, Paolo Carloni

Version 1 posted 29 March 2023

341

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Biological and Medicinal Chemistry

Metal Coordination and Enzymatic Reaction of the Glioma-Target R132H Isocitrate Dehydrogenase 1: Insights by Molecular Simulations

Bharath Raghavan, Marco De Vivo, Paolo Carloni

Version 1 posted 14 August 2024

93

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