Relaxation of backbone bond geometry improves protein energy landscape modeling

Efficient sampling of protein conformational space using fast loop building and batch minimization on highly parallel computers

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Algorithm discovery by protein folding game players

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Alternate States of Proteins Revealed by Detailed Energy Landscape Mapping

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MolProbity: all-atom structure validation for macromolecular crystallography

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CHARMM: The biomolecular simulation program

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Macromolecular Modeling with Rosetta

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