Last data update: 2014.03.03

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R Release (3.2.3)
CranContrib
BioConductor
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Results 1 - 3 of 3 found.
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cyclooctanol (Package: UWHAM) : A simulated tempering dataset of interaction parameters and binding energies

Time series of interaction parameters and corresponding binding energies from a Hamiltonian hopping simulation of molecular binding.
● Data Source: CranContrib
● Keywords: datasets
● Alias: cyclooctanol
● 0 images

ligand2.soft (Package: UWHAM) : A dataset of binding energies with a soft-core interaction potential

A dataset for protein-ligand binding with a soft energy function.
● Data Source: CranContrib
● Keywords: datasets
● Alias: ligand2.soft
● 0 images

ligand2.hard (Package: UWHAM) : A dataset of binding energies obtained with a conventional interaction potential

A dataset for protein-ligand binding with an unmodified energy function.
● Data Source: CranContrib
● Keywords: datasets
● Alias: ligand2.hard
● 0 images