Biophysical Chemistry
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- 2024
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Mark
Interplay of halogen bonding and solvation in protein-ligand binding
(
- Contribution to journal › Article
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Mark
Ligand-induced protein transition state stabilization switches the binding pathway from conformational selection to induced fit
2024) In Proceedings of the National Academy of Sciences of the United States of America 121(14). p.2317747121-2317747121(
- Contribution to journal › Article
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Mark
Proton Transfer Kinetics in Histidine Side Chains Determined by pH-Dependent Multi-Nuclear NMR Relaxation
(
- Contribution to journal › Article
- 2023
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Mark
Cosolvent Dimethyl Sulfoxide Influences Protein-Ligand Binding Kinetics via Solvent Viscosity Effects : Revealing the Success Rate of Complex Formation Following Diffusive Protein-Ligand Encounter
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- Contribution to journal › Article
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Mark
Identification of Distinct Soluble States During Fibril Formation Using Multilinear Analysis of NMR Diffusion Data
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- Chapter in Book/Report/Conference proceeding › Book chapter
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Mark
NMR Studies of Aromatic Ring Flips to Probe Conformational Fluctuations in Proteins
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- Contribution to journal › Scientific review
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Mark
Slow conformational changes in the rigid and highly stable chymotrypsin inhibitor 2
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- Contribution to journal › Article
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Mark
Free-Energy Landscape and Rate Estimation of the Aromatic Ring Flips in Basic Pancreatic Trypsin Inhibitors Using Metadynamics
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- Contribution to journal › Article
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Mark
Flexibility and Function of Distal Substrate-Binding Tryptophans in the Blue Mussel β-Mannanase MeMan5A and Their Role in Hydrolysis and Transglycosylation
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- Contribution to journal › Article
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Mark
Conformational Dynamics of Phytoglobin BvPgb1.2 from Beta vulgaris ssp. vulgaris
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- Contribution to journal › Article
- 2022
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Mark
Flap Dynamics in Pepsin-Like Aspartic Proteases : A Computational Perspective Using Plasmepsin-II and BACE-1 as Model Systems
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- Contribution to journal › Article
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Mark
Development and applications of NMR relaxation methods to study protein and ligand dynamics.
2022)(
- Thesis › Doctoral thesis (compilation)
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Mark
Electron transport via tyrosine-doped oligo-alanine peptide junctions : role of charges and hydrogen bonding
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- Contribution to journal › Article
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Mark
Characterizing Fast Conformational Exchange of Aromatic Rings Using Residual Dipolar Couplings : Distinguishing Jumplike Flips from Other Exchange Mechanisms
(
- Contribution to journal › Article
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Mark
Bromodomain Interactions with Acetylated Histone 4 Peptides in the BRD4 Tandem Domain : Effects on Domain Dynamics and Internal Flexibility
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- Contribution to journal › Article
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Mark
NMR Observation of Sulfhydryl Signals in SARS-CoV-2 Main Protease Aids Structural Studies
(
- Contribution to journal › Article
- 2021
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Mark
Going to extremes - a metagenomic journey into the dark matter of life
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- Contribution to journal › Scientific review
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Mark
Pepsin-like aspartic proteases (PAPs) as model systems for combining biomolecular simulation with biophysical experiments
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- Contribution to journal › Scientific review
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Mark
1H R1ρ relaxation dispersion experiments in aromatic side chains
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- Contribution to journal › Article
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Mark
Mapping the energy landscape of protein-ligand binding via linear free energy relationships determined by protein NMR relaxation dispersion
(
- 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
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- Contribution to journal › Article
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Mark
Transition-State Compressibility and Activation Volume of Transient Protein Conformational Fluctuations
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- Contribution to journal › Article
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Mark
Rapid measurement of heteronuclear transverse relaxation rates using non-uniformly sampled R1ρ accordion experiments
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- Contribution to journal › Article
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Mark
Accurate prediction of B-form/A-form DNA conformation propensity from primary sequence : A machine learning and free energy handshake
(
- Contribution to journal › Article
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Mark
Structural characterization of the microbial enzyme urocanate reductase mediating imidazole propionate production
(
- Contribution to journal › Article
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Mark
Large-Scale Recombinant Production of the SARS-CoV-2 Proteome for High-Throughput and Structural Biology Applications
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- Contribution to journal › Article
- 2020
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Mark
Molecular Recognition and Conformational Dynamics in Macromolecules
2020)(
- Thesis › Doctoral thesis (compilation)
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Mark
Dynamic allosteric communication pathway directing differential activation of the glucocorticoid receptor
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- Contribution to journal › Article
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Mark
Accurate Backbone 13C and 15N Chemical Shift Tensors in Galectin-3 Determined by MAS NMR and QM/MM : Details of Structure and Environment Matter
(
- Contribution to journal › Article
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Mark
Ultrastructural evidence for self-replication of alzheimer-associated Aβ42 amyloid along the sides of fibrils
2020) In Proceedings of the National Academy of Sciences of the United States of America 117(21). p.11265-11273(
- Contribution to journal › Article
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Mark
Measuring and Analyzing Binding Kinetics of Coupled Folding and Binding Reactions Under Pseudo-First-Order Conditions
(
- Contribution to journal › Article
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Mark
Benefits and constrains of covalency : the role of loop length in protein stability and ligand binding
(
- Contribution to journal › Article
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Mark
Interleaflet Decoupling in a Lipid Bilayer at Excess Cholesterol Probed by Spectroscopic Ellipsometry and Simulations
(
- Contribution to journal › Article
- 2019
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Mark
Stability and Local Unfolding of SOD1 in the Presence of Protein Crowders
(
- Contribution to journal › Article
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Mark
Backbone
1
H,
13
C, and
15
N resonance assignments of BoMan26A, a β-mannanase of the glycoside hydrolase family 26 from the human gut bacterium Bacteroides ovatus
(
- Contribution to journal › Article
-
Mark
Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding
(
- Contribution to journal › Article
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Mark
Minute Additions of DMSO Affect Protein Dynamics Measurements by NMR Relaxation Experiments through Significant Changes in Solvent Viscosity
(
- Contribution to journal › Article
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Mark
Molecular recognition and dynamics in proteins studied by NMR
2019)(
- Thesis › Doctoral thesis (compilation)
-
Mark
Rotamer jumps, proton exchange, and amine inversion dynamics of dimethylated lysine residues in proteins resolved by ph-dependent 1h and 13c nmr relaxation dispersion
(
- Contribution to journal › Article
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Mark
Revealing Well-Defined Soluble States during Amyloid Fibril Formation by Multilinear Analysis of NMR Diffusion Data
(
- Contribution to journal › Article
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Mark
Galectin-3 Ligand Binding: Mechanism and Driving Forces
2019)(
- Thesis › Doctoral thesis (compilation)
-
Mark
Adsorption of unfolded Cu/Zn superoxide dismutase onto hydrophobic surfaces catalyzes its formation of amyloid fibrils
(
- Contribution to journal › Article
-
Mark
Rapid NMR Relaxation Rate Measurements Using Optimal Non-Uniform Sampling of Multi-Dimensional Accordion Data Analyzed by a Sparse Reconstruction Method
2019) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 123(27). p.5718-5723(
- Contribution to journal › Article
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Mark
In-hospital metabolite changes in infective endocarditis—a longitudinal 1H NMR-based study
(
- Contribution to journal › Article
- 2018
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Mark
Backbone 1H, 13C, and 15N resonance assignments of the ligand binding domain of the human wildtype glucocorticoid receptor and the F602S mutant variant
(
- Contribution to journal › Article
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Mark
Chemical Shifts of the Carbohydrate Binding Domain of Galectin-3 from Magic Angle Spinning NMR and Hybrid Quantum Mechanics/Molecular Mechanics Calculations
(
- Contribution to journal › Article
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Mark
Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design
(
- Contribution to journal › Article
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Mark
Compressibility of the protein-water interface
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- Contribution to journal › Article
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Mark
How proteins modify water dynamics
(
- Contribution to journal › Article
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Mark
The geometry of protein hydration
(
- Contribution to journal › Article