Y C MARTIN
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Explore the profile of Y C MARTIN including associated specialties, affiliations and a list of published articles.
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49
Citations
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Recent Articles
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MARTIN Y
Farmaco
. 2001 May;
56(1-2):137-9.
PMID: 11347956
Molecular diversity needs to be considered when designing a screening set, whether a set of individual compounds or a combinatorial library. We have found that traditional substructure descriptors encode information...
3.
Muegge I, MARTIN Y, Hajduk P, Fesik S
J Med Chem
. 1999 Jul;
42(14):2498-503.
PMID: 10411471
A new knowledge-based scoring function (PMF-score), implemented into the DOCK4 program, was used to screen a database of 3247 small molecules for binding to the FK506 binding protein (FKBP). The...
4.
A general and fast scoring function for protein-ligand interactions: a simplified potential approach
Muegge I, MARTIN Y
J Med Chem
. 1999 Mar;
42(5):791-804.
PMID: 10072678
A fast, simplified potential-based approach is presented that estimates the protein-ligand binding affinity based on the given 3D structure of a protein-ligand complex. This general, knowledge-based approach exploits structural information...
5.
Bures M, MARTIN Y
Curr Opin Chem Biol
. 1998 Aug;
2(3):376-80.
PMID: 9691077
Molecular diversity, combinatorial chemistry and automated synthesis are helping usher in a new age in medicinal chemistry. The tools and practices of computational chemistry and molecular modeling are rising to...
6.
Brown R, MARTIN Y
SAR QSAR Environ Res
. 1998 Mar;
8(1-2):23-39.
PMID: 9517009
An evaluation of the suitability of a number of structural descriptors and clustering methods for use in diversity selection is presented. The methods are compared by their success in simulated...
7.
Brown R, MARTIN Y
J Med Chem
. 1997 Jul;
40(15):2304-13.
PMID: 9240346
The design of combinatorial mixture libraries should take account of a number of factors. This paper describes the application of a genetic algorithm to optimizing the diversity of libraries while...
8.
Abreo M, Lin N, Garvey D, Gunn D, Hettinger A, Wasicak J, et al.
J Med Chem
. 1996 Feb;
39(4):817-25.
PMID: 8632405
Recent evidence indicating the therapeutic potential of cholinergic channel modulators for the treatment of central nervous system (CNS) disorders as well as the diversity of brain neuronal nicotine acetylcholine receptors...
9.
MARTIN Y, Lin C, Hetti C, DeLazzer J
J Med Chem
. 1995 Aug;
38(16):3009-15.
PMID: 7636863
Although the statistical method of partial least squares (PLS) is widely used for the analysis of the relationship between molecular properties and biological potency, it is recognized that PLS detects...
10.
Kim K, MARTIN Y, BROOKS D, Dyer R, Carter G
J Pharm Sci
. 1994 Mar;
83(3):433-8.
PMID: 8207697
Quantitative structure-activity relationships (QSAR) of 72 1-phenyltetrahydropyridazin-3(2H)-one (I) analogues are examined for the inhibitory potency (IC50) of 5-lipoxygenase in a broken cell. The potency is increased by lipophilic substituents at...