Biophysical Chemistry
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- 2024
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Mark
Interplay of halogen bonding and solvation in protein-ligand binding
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- 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
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- 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
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- 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