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- 2022
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Mark
Combining crystallography with quantum mechanics
(
- Contribution to journal › Scientific review
- 2021
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Mark
Quantum-refinement studies of the bidentate ligand of V‑nitrogenase and the protonation state of CO-inhibited Mo‑nitrogenase
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- Contribution to journal › Article
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Mark
Critical evaluation of a crystal structure of nitrogenase with bound N2 ligands
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- Contribution to journal › Article
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Mark
Entropy–Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C
(
- Contribution to journal › Article
-
Mark
A protocol for production of perdeuterated OmpF porin for neutron crystallography
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- Contribution to journal › Article
-
Mark
Exploring ligand dynamics in protein crystal structures with ensemble refinement
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- Contribution to journal › Article
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Mark
Can the results of quantum refinement be improved with a continuum-solvation model?
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- Contribution to journal › Article
- 2020
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Mark
Automated orientation of water molecules in neutron crystallographic structures of proteins
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- Contribution to journal › Article
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Mark
Water structure in solution and crystal molecular dynamics simulations compared to protein crystal structures
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- Contribution to journal › Article
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Mark
Prospects for membrane protein crystals in NMX
(
- Chapter in Book/Report/Conference proceeding › Book chapter
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Mark
FragHAR : Towards ab initio quantum-crystallographic X-ray structure refinement for polypeptides and proteins
(
- Contribution to journal › Article
- 2019
-
Mark
Mechanism of hydrogen peroxide formation by lytic polysaccharide monooxygenase
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- Contribution to journal › Article
-
Mark
Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding
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- Contribution to journal › Article
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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
- 2018
-
Mark
Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design
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- Contribution to journal › Article
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Mark
Membrane-protein crystals for neutron diffraction
(
- Contribution to journal › Scientific review
- 2017
-
Mark
Biological Structures
(
- Chapter in Book/Report/Conference proceeding › Book chapter
- 2016
-
Mark
Perdeuteration, crystallization, data collection and comparison of five neutron diffraction data sets of complexes of human galectin-3C
(
- Contribution to journal › Article
- 2015
-
Mark
The mu TPC method: improving the position resolution of neutron detectors based on MPGDs
(
- Contribution to journal › Article
-
Mark
Dynamics of biological macromolecules by neutron scattering
(
- Contribution to journal › Review (Book/Film/Exhibition/etc.)