3 datasets found
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Federal
Activation loop plasticity and active site coupling in the MAP kinase, ERK2: Supplementary Data, Trajectories, and Scripts
National Institute of Standards and Technology —
Conventional molecular dynamics (MD) simulations using the GPU-enabled CUDA version of the pmemd executable (pmemd.cuda) in AMBER were applied to explore the... -
Federal
Data and code for "Predicting the toughness of compatibilized polymer blends"
National Institute of Standards and Technology —
This code and example files were used to run the self-consistent field theory parameterization in the publication "Predicting the toughness of compatibilized polymer... -
Federal
Dilute solution properties and force field model parameters of LLDPE in good solvent from "Structure-dilute property relationships of comb-like macromolecules in a good solvent" and "The importance of branch placement on the dilute solution properties of comb-like macromolecules".
National Institute of Standards and Technology —
These data and the coarse-grain force-field parameters were used to produce publication (1) "Structure-dilute property relationships of comb-like macromolecules in a...
3 datasets found