CDOCKER and $$\lambda$$-dynamics for prospective prediction in D3R Grand Challenge 2
نویسندگان
چکیده
منابع مشابه
Performance of HADDOCK and a simple contact-based protein–ligand binding affinity predictor in the D3R Grand Challenge 2
We present the performance of HADDOCK, our information-driven docking software, in the second edition of the D3R Grand Challenge. In this blind experiment, participants were requested to predict the structures and binding affinities of complexes between the Farnesoid X nuclear receptor and 102 different ligands. The models obtained in Stage1 with HADDOCK and ligand-specific protocol show an ave...
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Blinded predictions of binding modes and energies of HSP90-α ligands for the 2015 D3R grand challenge.
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ژورنال
عنوان ژورنال: Journal of Computer-Aided Molecular Design
سال: 2017
ISSN: 0920-654X,1573-4951
DOI: 10.1007/s10822-017-0050-5