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GARD: a Generally Applicable Replacement for RMSD.
Baber JC, Thompson DC, Cross JB, Humblet C. Baber JC, et al. Among authors: humblet c. J Chem Inf Model. 2009 Aug;49(8):1889-900. doi: 10.1021/ci9001074. J Chem Inf Model. 2009. PMID: 19618919
CONFIRM: connecting fragments found in receptor molecules.
Thompson DC, Denny RA, Nilakantan R, Humblet C, Joseph-McCarthy D, Feyfant E. Thompson DC, et al. Among authors: humblet c. J Comput Aided Mol Des. 2008 Oct;22(10):761-72. doi: 10.1007/s10822-008-9221-8. Epub 2008 Jul 9. J Comput Aided Mol Des. 2008. PMID: 18612831
Computation of 3D queries for ROCS based virtual screens.
Tawa GJ, Baber JC, Humblet C. Tawa GJ, et al. Among authors: humblet c. J Comput Aided Mol Des. 2009 Dec;23(12):853-68. doi: 10.1007/s10822-009-9302-3. Epub 2009 Sep 26. J Comput Aided Mol Des. 2009. PMID: 19820902
Investigation of MM-PBSA rescoring of docking poses.
Thompson DC, Humblet C, Joseph-McCarthy D. Thompson DC, et al. Among authors: humblet c. J Chem Inf Model. 2008 May;48(5):1081-91. doi: 10.1021/ci700470c. Epub 2008 May 9. J Chem Inf Model. 2008. PMID: 18465849
111 results