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Chapter 9. First Principles Methods in Biology: From Continuum Models to Hybrid Ab initio Quantum Mechanics/Molecular Mechanics

Type of publication Peer-reviewed
Publikationsform Contribution to book (peer-reviewed)
Author Dreyer Jens, Brancato Giuseppe, Ippoliti Emiliano, Genna Vito, De Vivo Marco, Carloni Paolo, Rothlisberger Ursula,
Project Next Generation First-Principles Based Molecular Dynamics with Application to Biomimetic and Materials Design
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Contribution to book (peer-reviewed)

Book Simulating Enzyme Reactivity: Computational Methods in Enzyme Catalysis
Editor , Tunon Inaki; , Moliner Vicent
Publisher Royal Society of Chemistry, Cambridge
Page(s) 294 - 339
ISBN 978-1-78262-429-5
Title of proceedings Simulating Enzyme Reactivity: Computational Methods in Enzyme Catalysis
DOI 10.1039/9781782626831

Open Access

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