Overlay databank unlocks data-driven analyses of biomolecules for all

Anne M Kiirikki , Hanne S Antila , Lara S Bort , Pavel Buslaev
Nature Communications 15 ( 1) 1136 -1136

7
2024
Inverse Conformational Selection in Lipid–Protein Binding

Amélie Bacle , Pavel Buslaev , Rebeca Garcia-Fandino , Fernando Favela-Rosales
Journal of the American Chemical Society

25
2021
Quantitative comparison against experiments reveals imperfections in force fields’ descriptions of popc–cholesterol interactions

Matti Javanainen , Peter Heftberger , Jesper J Madsen , Markus S Miettinen
Journal of Chemical Theory and Computation 19 ( 18) 6342 -6352

10
2023
SUPPORTING INFORMATION: Headgroup Structure and Cation Binding in Phosphatidylserine Lipid Bilayers

Hanne Antila , Pavel Buslaev , Fernando Favela-Rosales , Tiago M Ferreira

Evaluating Polarizable Biomembrane Simulations against Experiments

Hanne S Antila , Sneha Dixit , Batuhan Kav , Jesper J Madsen
Journal of Chemical Theory and Computation

2024
A Hybrid Approach Toward Systematically-Derived Implicit-Solvent Coarse-Grained Lipid Models

Alexander J Pak , Thomas Dannenhoffer-Lafage , Jesper J Madsen , Gregory A Voth
2018 AIChE Annual Meeting

2018
A Generic Coarse-Grained Model of Influenza Budding: What Can We Learn?

Jesper J Madsen , John MA Grime , Gregory A Voth
2017 AIChE Annual Meeting

2017
M2-Mediated Influenza Virus Budding and Scission: From Basic Principles to Control

Jesper J Madsen , John MA Grime , Gregory A Voth
2017 AIChE Annual Meeting

2017
Submission PDF

Jesper J Madsen , John MA Grime , Jeremy S Rossman , Gregory A Voth
PNAS 67 68 -68

An in-membrane NMR spectroscopic approach probing native ligand-GPCR interaction

Xudong Wang , Nabila Bushra , Martin Muschol , Jesper J Madsen
International Journal of Biological Macromolecules 206 911 -916

8
2022
A 19F-qNMR-Guided Mathematical Model for G Protein-Coupled Receptor Signaling

Jesús Giraldo , Jesper J Madsen , Xudong Wang , Lei Wang
Molecular Pharmacology 105 ( 1) 54 -62

2024
Molecular Basis of Enhanced Activity in Factor VIIa-Trypsin Variants Conveys Insights into Tissue Factor-mediated Allosteric Regulation of Factor VIIa Activity

Anders B Sorensen , Jesper J Madsen , L Anders Svensson , Anette A Pedersen
Journal of Biological Chemistry 291 ( 9) 4671 -4683

10
2016
Allostery in Coagulation Factor VIIa Revealed by Ensemble Refinement of Crystallographic Structures

Anders B Sorensen , Jesper J Madsen , Thomas M Frimurer , Michael T Overgaard
Biophysical Journal 116 ( 10) 1823 -1835

1
2019
A systematic approach for evaluating the role of surface-exposed loops in trypsin-like serine proteases applied to the 170 loop in coagulation factor VIIa

Anders B Sorensen , Per Jr Greisen , Jesper J Madsen , Jacob Lund
Scientific Reports 12 ( 1) 3747 -3747

1
2022
Efficient simulation of tunable lipid assemblies across scales and resolutions

John M A Grime , Jesper J Madsen
arXiv preprint arXiv:1910.05362

17
2019
19F NMR: A promising tool for dynamic conformational studies of G protein-coupled receptors

Libin Ye , Xudong Wang , Aidan McFarland , Jesper J Madsen
Structure 30 ( 10) 1372 -1384

10
2022
Trifluorinated keto–enol tautomeric switch in probing domain rotation of a G protein-coupled receptor

Xudong Wang , Wenjie Zhao , Sameer Al-Abdul-Wahid , Yiming Lu
Bioconjugate Chemistry 32 ( 1) 99 -105

9
2020
Staphylococcus aureus FtsZ and PBP4 bind to the conformationally dynamic N-terminal domain of GpsB

Michael D Sacco , Lauren R Hammond , Radwan E Noor , Dipanwita Bhattacharya
Elife 13 e85579 -e85579

7
2024