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Archive

• 2026-04-24 STIP1/HOP promotes the formation of cytotoxic α-synuclein oligomers
• 2026-02-25 Improving conformational ensembles of folded proteins in GōMartini
• 2025-12-22 Structural insights into AQP3 channel closure upon pH and redox changes
• 2025-06-30 Quantification of the impact of structure quality on predicted binding free energy accuracy
• 2025-05-19 Free energy simulations to quantitatively study biomolecule stability and binding
• 2025-05-19 Free energy calculations for protein design (preprint)
• 2025-04-02 Improving pKa Predictions with Reparameterized Force Fields and Free Energy Calculations
• 2024-02-06 Molecular basis for human aquaporin inhibition
• 2023-06-29 Accurately predicting protein pKa values using non-equilibrium alchemy
• 2023-06-13 Resolving coupled pH titrations using alchemical free energy calculations
• 2022-04-21 AlphaFold2: A Role for Disordered Protein/Region Prediction?
• 2022-01-10 Matrin3: Disorder and ALS Pathogenesis
• 2021-05-24 KEAP1 cancer mutants: A large-scale molecular dynamics study of protein stability
• 2021-03-30 Exploring the conformational landscape of the Neh4 and Neh5 domains of Nrf2 using two different force fields and circular dichroism