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GALAHAD: 1. pharmacophore identification by hypermolecular alignment of ligands in 3D.
J Comput Aided Mol Des. 2006 Sep;20(9):567-87. doi: 10.1007/s10822-006-9082-y. Epub 2006 Oct 19.
J Comput Aided Mol Des. 2006.
PMID: 17051338
Using a staged multi-objective optimization approach to find selective pharmacophore models.
Clark RD, Abrahamian E.
Clark RD, et al. Among authors: abrahamian e.
J Comput Aided Mol Des. 2009 Nov;23(11):765-71. doi: 10.1007/s10822-008-9227-2. Epub 2008 Jul 29.
J Comput Aided Mol Des. 2009.
PMID: 18663585
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The effects of biasing torsional mutations in a conformational GA.
Strizhev A, Abrahamian EJ, Choi S, Leonard JM, Wolohan PR, Clark RD.
Strizhev A, et al. Among authors: abrahamian ej.
J Chem Inf Model. 2006 Jul-Aug;46(4):1862-70. doi: 10.1021/ci0502193.
J Chem Inf Model. 2006.
PMID: 16859317
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Parameterization and conformational sampling effects in pharmacophore multiplet searching.
Fox PC, Wolohan PR, Abrahamian E, Clark RD.
Fox PC, et al. Among authors: abrahamian e.
J Chem Inf Model. 2008 Dec;48(12):2326-34. doi: 10.1021/ci800234q.
J Chem Inf Model. 2008.
PMID: 19053520
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Efficient generation, storage, and manipulation of fully flexible pharmacophore multiplets and their use in 3-D similarity searching.
Abrahamian E, Fox PC, Naerum L, Christensen IT, Thøgersen H, Clark RD.
Abrahamian E, et al.
J Chem Inf Comput Sci. 2003 Mar-Apr;43(2):458-68. doi: 10.1021/ci025595r.
J Chem Inf Comput Sci. 2003.
PMID: 12653509
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