Open Source Protein REdesign for You
Suite of programs for computational structure-based protein design
OSPREY is a suite of programs for computational structure-based protein design. OSPREY is developed in the lab of Prof. Bruce Donald at Duke University. OSPREY is specifically designed to predict protein mutants that possess desired target properties (e.g., improved stability, switch of substrate specificity, etc.). OSPREY can also be used for predicting small-molecule drug inhibitors.
OSPREY incorporates several different algorithmic modules for structure-based protein design, including a number of powerful Dead-End Elimination algorithms and the ensemble-based K* algorithm for protein-ligand binding prediction. OSPREY allows the incorporation of continuous protein side-chain and continuous or discrete backbone flexibility, while maintaining provable guarantees with respect to the input model (input structure, rotamer library, energy function, and any backbone perturbations) for a given protein design problem.
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