Biophysical Chemistry

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2024
Mark AlphaFold-SFA : Accelerated sampling of cryptic pocket opening, protein-ligand binding and allostery by AlphaFold, slow feature analysis and metadynamics
Vats, Shray ; Bobrovs, Raitis ; Söderhjelm, Pär ^LU and Bhakat, Soumendranath ^LU (2024) In PLoS ONE 19(8).
- Contribution to journal › Article
2023
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
Wernersson, Sven ^LU ; Birgersson, Simon ^LU and Akke, Mikael ^LU (2023) In Biochemistry 62(1). p.44-52
- Contribution to journal › Article
Mark NMR Studies of Aromatic Ring Flips to Probe Conformational Fluctuations in Proteins
Akke, Mikael ^LU and Weininger, Ulrich ^LU (2023) In Journal of Physical Chemistry B 127(3). p.591-599
- Contribution to journal › Scientific review
Mark Flexibility and Function of Distal Substrate-Binding Tryptophans in the Blue Mussel β-Mannanase MeMan5A and Their Role in Hydrolysis and Transglycosylation
Birgersson, Simon ^LU ; Morrill, Johan ^LU ; Stenström, Olof ^LU ; Wiemann, Mathias ^LU ; Weininger, Ulrich ^LU ; Söderhjelm, Pär ^LU ; Akke, Mikael ^LU and Stålbrand, Henrik ^LU (2023) In Catalysts 13(9).
- Contribution to journal › Article
Mark Slow conformational changes in the rigid and highly stable chymotrypsin inhibitor 2
Gavrilov, Yulian ^LU ; Prestel, Andreas ; Lindorff-Larsen, Kresten and Teilum, Kaare ^LU (2023) In Protein Science 32(4).
- Contribution to journal › Article
Mark Free-Energy Landscape and Rate Estimation of the Aromatic Ring Flips in Basic Pancreatic Trypsin Inhibitors Using Metadynamics
Kulkarni, Mandar ^LU and Söderhjelm, Pär ^LU (2023) In Journal of Chemical Theory and Computation 19(19). p.6605-6618
- Contribution to journal › Article
Mark Conformational Dynamics of Phytoglobin BvPgb1.2 from Beta vulgaris ssp. vulgaris
Christensen, Simon ^LU ; Stenström, Olof ^LU ; Akke, Mikael ^LU and Bülow, Leif ^LU (2023) In International Journal of Molecular Sciences 24(4).
- Contribution to journal › Article
Mark Identification of Distinct Soluble States During Fibril Formation Using Multilinear Analysis of NMR Diffusion Data
Jensen, Kristine Steen ^LU ; Nilsson, Mathias ; Akke, Mikael ^LU and Malmendal, Anders ^LU (2023) In Methods in Molecular Biology 2551. p.461-479
- Chapter in Book/Report/Conference proceeding › Book chapter
2022
Mark Bromodomain Interactions with Acetylated Histone 4 Peptides in the BRD4 Tandem Domain : Effects on Domain Dynamics and Internal Flexibility
Wernersson, Sven ^LU ; Bobby, Romel ; Flavell, Liz ; Milbradt, Alexander G. ; Holdgate, Geoffrey A. ; Embrey, Kevin J. and Akke, Mikael ^LU (2022) In Biochemistry 61(21). p.2303-2318
- Contribution to journal › Article
Mark NMR Observation of Sulfhydryl Signals in SARS-CoV-2 Main Protease Aids Structural Studies
Robertson, Angus J. ^LU ; Ying, Jinfa and Bax, Ad (2022) In ChemBioChem 23(19).
- Contribution to journal › Article

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