Martin YC - Search Results

1

Ligand binding to domain-3 of human serum albumin: a chemometric analysis.

Hajduk PJ, Mendoza R, Petros AM, Huth JR, Bures M, Fesik SW, Martin YC. Hajduk PJ, et al. Among authors: martin yc. J Comput Aided Mol Des. 2003 Feb-Apr;17(2-4):93-102. doi: 10.1023/a:1025305520585. J Comput Aided Mol Des. 2003. PMID: 13677478

2

A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists.

Martin YC, Bures MG, Danaher EA, DeLazzer J, Lico I, Pavlik PA. Martin YC, et al. J Comput Aided Mol Des. 1993 Feb;7(1):83-102. doi: 10.1007/BF00141577. J Comput Aided Mol Des. 1993. PMID: 8097240

3

Computational methods in molecular diversity and combinatorial chemistry.

Bures MG, Martin YC. Bures MG, et al. Among authors: martin yc. Curr Opin Chem Biol. 1998 Jun;2(3):376-80. doi: 10.1016/s1367-5931(98)80012-4. Curr Opin Chem Biol. 1998. PMID: 9691077 Review.

4

Evaluation of PMF scoring in docking weak ligands to the FK506 binding protein.

Muegge I, Martin YC, Hajduk PJ, Fesik SW. Muegge I, et al. Among authors: martin yc. J Med Chem. 1999 Jul 15;42(14):2498-503. doi: 10.1021/jm990073x. J Med Chem. 1999. PMID: 10411471

5

Application of belief theory to similarity data fusion for use in analog searching and lead hopping.

Muchmore SW, Debe DA, Metz JT, Brown SP, Martin YC, Hajduk PJ. Muchmore SW, et al. Among authors: martin yc. J Chem Inf Model. 2008 May;48(5):941-8. doi: 10.1021/ci7004498. Epub 2008 Apr 17. J Chem Inf Model. 2008. PMID: 18416545

6

MENTHOR, a database system for the storage and retrieval of three-dimensional molecular structures and associated data searchable by substructural, biologic, physical, or geometric properties.

Martin YC, Danaher EB, May CS, Weininger D. Martin YC, et al. J Comput Aided Mol Des. 1988 Apr;2(1):15-29. doi: 10.1007/BF01532050. J Comput Aided Mol Des. 1988. PMID: 3199146

7

ALADDIN: an integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional molecular structures.

Van Drie JH, Weininger D, Martin YC. Van Drie JH, et al. Among authors: martin yc. J Comput Aided Mol Des. 1989 Sep;3(3):225-51. doi: 10.1007/BF01533070. J Comput Aided Mol Des. 1989. PMID: 2573695

8

Let's not forget tautomers.

Martin YC. Martin YC. J Comput Aided Mol Des. 2009 Oct;23(10):693-704. doi: 10.1007/s10822-009-9303-2. J Comput Aided Mol Des. 2009. PMID: 19842045 Free PMC article.

9

Tautomerism, Hammett sigma, and QSAR.

Martin YC. Martin YC. J Comput Aided Mol Des. 2010 Jun;24(6-7):613-6. doi: 10.1007/s10822-010-9325-9. Epub 2010 Mar 18. J Comput Aided Mol Des. 2010. PMID: 20238145

10

A general and fast scoring function for protein-ligand interactions: a simplified potential approach.

Muegge I, Martin YC. Muegge I, et al. Among authors: martin yc. J Med Chem. 1999 Mar 11;42(5):791-804. doi: 10.1021/jm980536j. J Med Chem. 1999. PMID: 10072678

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