Living journal of computational molecular science

1629

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Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields [Article v1.0].

Pub Date : 2025-07-12 DOI: 10.33011/livecoms.6.1.3871 Chapin E Cavender, David A Case, Julian C-H Chen, Lillian T Chong, Daniel A Keedy, Kresten Lindorff-Larsen, David L Mobley, O H Samuli Ollila, Chris Oostenbrink, Paul Robustelli, Vincent A Voelz, Michael E Wall, David C Wych, Michael K Gilson

Running Gaussian-accelerated Molecular Dynamics Simulations in NAMD [Article v1.0].

Pub Date : 2025-01-01 DOI: 10.33011/livecoms.6.1.3815 Haley M Michel, Marcelo D Polêto, Justin A Lemkul

Computing absolute binding affinities by Streamlined Alchemical Free Energy Perturbation [Article v1.0]

Pub Date : 2023-01-01 DOI: 10.33011/livecoms.5.1.2067 Ezry Santiago-McRae, Mina Ebrahimi, Jesse W Sandberg, Grace Brannigan, Jérôme Hénin

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