Literature DB >> 24950321

Ligand discovery: Docking points.

Xavier Barril1.   

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Year:  2014        PMID： 24950321     DOI： 10.1038/nchem.1986

Source DB:  PubMed          Journal:  Nat Chem        ISSN： 1755-4330            Impact factor:   24.427


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  5 in total

1.  Accessing protein conformational ensembles using room-temperature X-ray crystallography.

Authors:  James S Fraser; Henry van den Bedem; Avi J Samelson; P Therese Lang; James M Holton; Nathaniel Echols; Tom Alber
Journal:  Proc Natl Acad Sci U S A       Date:  2011-09-14       Impact factor: 11.205

Review 2.  Understanding protein dynamics using conformational ensembles.

Authors:  X Salvatella
Journal:  Adv Exp Med Biol       Date:  2014       Impact factor: 2.622

3.  Unveiling the full potential of flexible receptor docking using multiple crystallographic structures.

Authors:  Xavier Barril; S David Morley
Journal:  J Med Chem       Date:  2005-06-30       Impact factor: 7.446

Review 4.  Efficient drug lead discovery and optimization.

Authors:  William L Jorgensen
Journal:  Acc Chem Res       Date:  2009-06-16       Impact factor: 22.384

5.  Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.

Authors:  Marcus Fischer; Ryan G Coleman; James S Fraser; Brian K Shoichet
Journal:  Nat Chem       Date:  2014-05-25       Impact factor: 24.427
  5 in total
  1 in total

1.  Docking-undocking combination applied to the D3R Grand Challenge 2015.

Authors:  Sergio Ruiz-Carmona; Xavier Barril
Journal:  J Comput Aided Mol Des       Date:  2016-10-05       Impact factor: 3.686
  1 in total

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