Physics – Biological Physics
Scientist
Physics
Biological Physics
Scientist
A library-based Monte Carlo technique enables rapid equilibrium sampling of a protein model with atomistic components
Absolute free energies estimated by combining pre-calculated molecular fragment libraries
Efficient equilibrium sampling of all-atom peptides using library-based Monte Carlo
Extending fragment-based free energy calculations with library Monte Carlo simulation: Annealing in interaction space
Rapid sampling of all-atom peptides using a library-based polymer-growth approach
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