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Inverse Conformational Selection in Lipid-Protein Binding.
A Bacle, P Buslaev, R Fandino, F Favela-Rosales, T Mendes Ferreira, P Fuchs, I Guschin, M Javanainen, A Kiirikki, JJ Madsen, J Melcr, P Milan Rodriguez, M Miettinen, OHS Ollila, C Papadopoulos, A Peon, T Piggot, A Pineiro, S Virtanen
J Am Chem Soc 2021; in press.
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Uncovering Membrane-Bound Models of Coagulation Factors by Combined Experimental and Computational Approaches.
YZ Ohkubo* & JJ Madsen*.
Thromb Haemost 2021; in press. (*Co-corresponding author)
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Conformational Plasticity-Rigidity Axis of the Coagulation Factor VII Zymogen Elucidated by Atomistic Simulations of the N-terminally Truncated Factor VIIa Protease Domain.
JJ Madsen* & OH Olsen*.
Biomolecules 2021; 11(4), 549. (*Co-corresponding author)
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Tri-fluorinated Keto-Enol Tautomeric Switch in Probing Domain Rotation of a G Protein-Coupled Receptor.
X Wang, W Zhao, S Al-Abdul-Wahid, Y Lu, T Cheng, JJ Madsen, L Ye.
Bioconjug Chem 2021; 32(1): 99-105.
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The Potential of 19F NMR Application in GPCR Biased Drug Discovery.
X Wang, A Mcfarland, JJ Madsen, E Aalo, L Ye.
Trends Pharmacol Sci 2021; 42(1): 19-30.
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Cholesterol Alters the Membrane Orientation and Activity of the Influenza Virus M2 Amphipathic Helix.
A Martyna, B Bahsoun, JJ Madsen, FSJS Jackson, MD Badham, GA Voth, JS Rossman.
J Phys Chem B 2020; 124(31): 6738-6747.
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Water Intake and Water Molecules' Path to the Active Site of Secretory Phospholipase A2 Using MD Simulations and the Tracking Tool AQUA-DUCT.
HD Tjørnelund, JJ Madsen, GH Peters.
J Phys Chem B 2020; 124(10): 1881-1891.
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Efficient Simulation of Tunable Lipid Assemblies Across Scales and Resolutions.
JMA Grime & JJ Madsen*.
Preprint at arXiv:1910.05362 (*Corresponding author)
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Headgroup Structure and Cation Binding in Phosphatidylserine Lipid Bilayers.
H Antila, P Buslaev, F Favela-Rosales, TM Ferreira, I Gushchin, M Javanainen, B Kav, JJ Madsen, J Melcr, MS Miettinen, J Määttä, R Nencini, OHS Ollila, TJ Piggot.
J Phys Chem B 2019; 123(43): 9066-9079.
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Allostery in Coagulation Factor VIIa Revealed by Ensemble Refinement Analysis of Crystallographic Structures.
AB Sorensen, JJ Madsen, TM Frimurer, MT Overgaard, PS Gandhi, E Persson, OH Olsen.
Biophys J 2019; 116(10):1823-1835.
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Systematic Coarse-Grained Lipid Force-Fields with Semi-Explicit Solvation via Virtual Sites.
AJ Pak, T Dannenhofer-Lafage, JJ Madsen, GA Voth.
J Chem Theory Comput 2019; 15(3):2087-2100.
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Entropic Forces Drive Clustering and Spatial Localization of Influenza A M2 During Viral Budding.
JJ Madsen, JMA Grime, JS Rossman, GA Voth.
Proc Natl Acad Sci USA 2018; 115(37):E8595-E8603. Preprint at bioRxiv:291120 * Featured in U. of C. Press Release by Natalie Lund, 12 September, 2018 *
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Evolutionary Conservation of the Allosteric Activation of Factor VIIa by Tissue Factor in Lamprey: Comment.
JJ Madsen, E Persson, OH Olsen.
J Thromb Haemost 2018; 16: 1450-1454.
Comment on Beeler et al. JTH (2018) 16(4): 734-748. Reply: Beeler et al. JTH (2018) 16(7): 1454-1456.
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Small-Angle X-ray Scattering Data in Combination with RosettaDock Improves the Docking Energy Landscape.
P Sønderby, Å Rinnan, JJ Madsen, P Harris, JT Bukrinski, GH Peters.
J Chem Inf Model 2017; 57:2463-2475.
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Tractors and Tractrices in Riemannian Manifolds.
JJ Madsen* & S Markvorsen*.
Preprint at arXiv:1707.09532 (*Co-corresponding author)
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Highly Coarse-Grained Representations of Transmembrane Proteins.
JJ Madsen, AV Sinitskiy, J Li, GA Voth.
J Chem Theory Comput 2017; 13:935-944.
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Acid Activation Mechanism of the Influenza A M2 Proton Channel.
R Liang, JMJ Swanson, JJ Madsen, M Hong, WF DeGrado, GA Voth.
Proc Natl Acad Sci USA 2016; 113:E6955-E6964.
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Theoretical Assessment of Fluorinated Phospholipids in the Design of Liposomal Drug-Delivery Systems.
JJ Madsen*, P Fristrup, GH Peters*.
J Phys Chem B 2016; 120:9661-9671. (*Co-corresponding author)
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Molecular Basis of Enhanced Activity in FVIIa-Trypsin Variants Conveys Insights into TF-Mediated Allosteric Regulation of FVIIa Activity.
AB Sorensen, JJ Madsen, LA Svensson, AA Pedersen, H Østergaard, MT Overgaard, OH Olsen, PS Gandhi.
J Biol Chem 2016; 291:4671-4683.
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Membrane Interaction of FVIIIa Discoidin Domains in Atomistic Detail.
JJ Madsen, YZ Ohkubo, GH Peters, JH Faber, E Tajkhorshid, OH Olsen.
Biochemistry 2015; 54:6123-6131.
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Factor VIII Interacts with the Endocytic Receptor Low-Density Lipoprotein Receptor-Related Protein 1 via an Extended Surface Comprising 'Hot-Spot' Lysine Residues.
M van den Biggelaar, JJ Madsen, JH Faber, M Zuurveld, C van der Zwaan, OH Olsen, HR Stennicke, K Mertens, AB Meijer.
J Biol Chem 2015; 290:16463-76. * Paper of the Week *
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Tissue Factor Activates Allosteric Networks in Factor VIIa Through Structural and Dynamic Changes.
JJ Madsen, E Persson, OH Olsen.
J Thromb Haemost 2015; 13:262-267. * Cover Article *