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Atomistic Simulations in Medicinal Chemistry & Biology at Newcastle University

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Monthly Archives: October 2018

QUBEKit

Posted on 31st October 2018 by Daniel

Josh’s preprint is now available on ChemRxiv: “QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics”. See our webpage on QUantum mechanical BEspoke force field design for more details.

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