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Grand Challenges for a General-Purpose Biomolecular Simulator
18th August 2026
Made with OpenBioSim: Powering Flare V12 with SOMD2, Sire, and BioSimSpace
26th June 2026
OpenBioSim at the 2026 Alchemistry Workshop in Free Energy Methods for Drug Design
24th April 2026
Made with OpenBioSim: Accurate Prediction of Drug Resistance for Intrinsically Disordered Protein Regions
23rd February 2026
Made with OpenBioSim: Enhancing Electrostatic Embedding for Machine Learning/Molecular Mechanics Free Energy Calculations
17th December 2025
Loch: CUDA accelerated Grand Canonical Monte Carlo water sampling
19th November 2025
Computer-Aided Drug Design in the Age of the AI Scientist
13th November 2025
Made with OpenBioSim: Modular and Interoperable Workflows for Benchmarking Alchemical Binding Free Energy Calculation Methodologies
20th October 2025
BioSimSpace diaries: dealing with dummy atoms in alchemical free energy calculations
24th September 2025
Highlights from the National Quantum Computing Centre UK Quantum Hackathon, July 21-23rd 2025
30th July 2025

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