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QM/MM Free-Energy Perturbation Compared to Thermodynamic Integration and Umbrella Sampling: Application to an Enzymatic Reaction

✍ Scribed by Kästner, Johannes; Senn, Hans Martin; Thiel, Stephan; Otte, Nikolaj; Thiel, Walter


Book ID
111651958
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
272 KB
Volume
2
Category
Article
ISSN
1549-9618

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