John E Straub

21PUBLICATIONS
66CO-AUTHORS
Fundamental and theoretical fluid dynamicsTheory and design of materialsStructural biology (incl. macromolecular modelling)Receptors and membrane biologyInorganic materials (incl. nanomaterials)
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Publications (21)

|Dec 26, 2025
Systematic Parameterization of Flory-Huggins Models from Molecular Dynamics Simulations for Ternary Lipid Mixtures.

Sonali Priyadarshini Nayak, David Zwicker, John E Straub

|Nov 19, 2025
Accurate determination of the preferred aggregation number of a micelle-encapsulated membrane protein dimer.

Jonathan J Harris, George A Pantelopulos, John E Straub

|Sep 02, 2025
Efficient Sampling of Free Energy Landscapes for the Calculation of Protein-Protein Binding Affinities in Membranes.

Ayan Majumder, John E Straub

|May 15, 2025
Kinetics and Mechanism of Phase Separation in Ternary Lipid Mixtures Containing APP C99: Atomistic vs Coarse-Grained MD Simulations.

George A Pantelopulos, Sangram Prusty, Asanga Bandara

|Dec 17, 2024
Elucidating the Mechanism of Recognition and Binding of Heparin to Amyloid Fibrils of Serum Amyloid A.

Conor B Abraham, Emily Lewkowicz, Olga Gursky

|Nov 01, 2024
Exploring Free Energy Landscapes for Protein Partitioning into Membrane Domains in All-Atom and Coarse-Grained Simulations.

Seulki Kwon, Ayan Majumder, John E Straub

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Frequent Collaborators

5 joint publications

D Thirumalai

5 joint publications

Ayan Majumder

5 joint publications

George A Pantelopulos

4 joint publications

Debayan Chakraborty