Kara E Ranaghan

3PUBLICATIONS
14CO-AUTHORS
Computational chemistryChemical engineering designDegenerate quantum gases and atom optics
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Publications (3)

|Feb 23, 2019
Projector-Based Embedding Eliminates Density Functional Dependence for QM/MM Calculations of Reactions in Enzymes and Solution.

Kara E Ranaghan, Darya Shchepanovska, Simon J Bennie

|May 08, 2018
L718Q mutant EGFR escapes covalent inhibition by stabilizing a non-reactive conformation of the lung cancer drug osimertinib.

D Callegari, K E Ranaghan, C J Woods

|Sep 21, 2017
Ab Initio QM/MM Modeling of the Rate-Limiting Proton Transfer Step in the Deamination of Tryptamine by Aromatic Amine Dehydrogenase.

Kara E Ranaghan, William G Morris, Laura Masgrau

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Frequent Collaborators

1 joint publications

D Callegari

1 joint publications

C J Woods

1 joint publications

R Minari

1 joint publications

M Tiseo