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- 2020
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Mark
FragHAR : Towards ab initio quantum-crystallographic X-ray structure refinement for polypeptides and proteins
(
- Contribution to journal › Article
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Mark
Automated orientation of water molecules in neutron crystallographic structures of proteins
(
- Contribution to journal › Article
- 2019
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Mark
Refinement of protein structures using a combination of quantum-mechanical calculations with neutron and X-ray crystallographic data
(
- Contribution to journal › Article
- 2003
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Mark
An automatic method to generate force-field parameters for hetero-compounds.
(
- Contribution to journal › Article
- 1998
-
Mark
On the relative stability of tetragonal and trigonal Cu(II) complexes with relevance to the blue copper proteins
(
- Contribution to journal › Article
- 1996
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Mark
The coordination of the catalytic zinc ion in alcohol dehydrogenase studied by combined quantum-chemical and molecular mechanics calculations
(
- Contribution to journal › Article
- 1995
-
Mark
On the role of Glu‐68 in alcohol dehydrogenase
(
- Contribution to journal › Article