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2013
Mark Effect of geometry optimisations on QM-cluster and QM/MM studies of reaction energies in proteins
Sumner, Sophie ; Söderhjelm, Pär ^LU and Ryde, Ulf ^LU (2013) In Journal of Chemical Theory and Computation 9(9). p.4205-4214
- Contribution to journal › Article
1996
Mark The coordination of the catalytic zinc ion in alcohol dehydrogenase studied by combined quantum-chemical and molecular mechanics calculations
Ryde, Ulf ^LU (1996) In Journal of Computer-Aided Molecular Design 10(2). p.153-164
- Contribution to journal › Article