Protein-ligand pose and affinity prediction. Lessons from D3R Grand Challenge 3.

By |August 26, 2018|Categories: Publications|

Abstract We report the performance of HADDOCK in the 2018 [...]

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M3: an integrative framework for structure determination of molecular machines

By |July 12, 2018|Categories: Publications|

This paper was published in Nature Methods in August 2017. [...]

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Targeting RNA structure in SMNS reverses spinal muscular atrophy molecular phenotypes.

By |June 30, 2018|Categories: Publications|

This paper was published in Nature Communications in May 2018. [...]

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Protein Flexibility and Synergy of HMG Domains Underlie U-Turn Bending of DNA by TFAM in Solution.

By |June 28, 2018|Categories: Publications|

This paper was published in the Biophysical Journal in May [...]

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Performance of HADDOCK and a simple contact-based protein-ligand binding affinity predictor in the D3R Grand Challenge 2

By |June 27, 2018|Categories: Publications|

Abstract We present the performance of HADDOCK, our information-driven docking [...]

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