ALF-1.0
Description
Run files and flattening scripts for 1-4 benzoquinone derivatives:
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Publications
Citation: Hayes, R. L.; Armacost, K. A.; Vilseck, J. Z.; Brooks III, C. L. Adaptive Landscape Flattening Accelerates Sampling of Alchemical Space in Multisite λ Dynamics Journal of Physical Chemistry B, 2017, 121, 3626-3635
ALF-2.0
Description
Run files and flattening scripts for T4 lysozyme protein mutations:
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Publications
Citation: Hayes, R. L.; Vilseck, J. Z.; Brooks III, C. L. Approaching Protein Design with Multisite λ Dynamics: Accurate and Scalable Mutational Folding Free Energies in T4 Lysozyme Protein Science, 2018,
ALF-2.0 ( VB-REX)
Description
Run files and flattening scripts for T4 lysozyme protein mutations:
Download
Publications
Citation: Hayes, R. L.; Vilseck, J. Z.; Brooks III, C. L. Approaching Protein Design with Multisite λ Dynamics: Accurate and Scalable Mutational Folding Free Energies in T4 Lysozyme Protein Science, 2018,
