Vainio MJ - Search Results

1

Binding of phenolic compounds and their derivatives to bovine and reindeer beta-lactoglobulin.

Riihimäki LH, Vainio MJ, Heikura JM, Valkonen KH, Virtanen VT, Vuorela PM. Riihimäki LH, et al. Among authors: vainio mj. J Agric Food Chem. 2008 Sep 10;56(17):7721-9. doi: 10.1021/jf801120a. Epub 2008 Aug 14. J Agric Food Chem. 2008. PMID: 18700775

2

The binding of synthetic retinoids to lipocalin beta-lactoglobulins.

Riihimäki-Lampén LH, Vainio MJ, Vahermo M, Pohjala LL, Heikura JM, Valkonen KH, Virtanen VT, Yli-Kauhaluoma JT, Vuorela PM. Riihimäki-Lampén LH, et al. Among authors: vainio mj. J Med Chem. 2010 Jan 14;53(1):514-8. doi: 10.1021/jm901309r. J Med Chem. 2010. PMID: 19938842

3

Similarity based virtual screening: a tool for targeted library design.

Alvesalo JK, Siiskonen A, Vainio MJ, Tammela PS, Vuorela PM. Alvesalo JK, et al. Among authors: vainio mj. J Med Chem. 2006 Apr 6;49(7):2353-6. doi: 10.1021/jm051209w. J Med Chem. 2006. PMID: 16570931

4

Molecular Docking Guided Comparative GFA, G/PLS, SVM and ANN Models of Structurally Diverse Dual Binding Site Acetylcholinesterase Inhibitors.

Gupta S, Fallarero A, Vainio MJ, Saravanan P, Santeri Puranen J, Järvinen P, Johnson MS, Vuorela PM, Mohan CG. Gupta S, et al. Among authors: vainio mj. Mol Inform. 2011 Aug;30(8):689-706. doi: 10.1002/minf.201100029. Epub 2011 Aug 4. Mol Inform. 2011. PMID: 27467261

5

McQSAR: a multiconformational quantitative structure-activity relationship engine driven by genetic algorithms.

Vainio MJ, Johnson MS. Vainio MJ, et al. J Chem Inf Model. 2005 Nov-Dec;45(6):1953-61. doi: 10.1021/ci0501847. J Chem Inf Model. 2005. PMID: 16309302

6

Generating conformer ensembles using a multiobjective genetic algorithm.

Vainio MJ, Johnson MS. Vainio MJ, et al. J Chem Inf Model. 2007 Nov-Dec;47(6):2462-74. doi: 10.1021/ci6005646. Epub 2007 Sep 25. J Chem Inf Model. 2007. PMID: 17892278

7

ShaEP: molecular overlay based on shape and electrostatic potential.

Vainio MJ, Puranen JS, Johnson MS. Vainio MJ, et al. J Chem Inf Model. 2009 Feb;49(2):492-502. doi: 10.1021/ci800315d. J Chem Inf Model. 2009. PMID: 19434847

8

Accurate conformation-dependent molecular electrostatic potentials for high-throughput in silico drug discovery.

Puranen JS, Vainio MJ, Johnson MS. Puranen JS, et al. Among authors: vainio mj. J Comput Chem. 2010 Jun;31(8):1722-32. doi: 10.1002/jcc.21460. J Comput Chem. 2010. PMID: 20020481

9

Automated recycling of chemistry for virtual screening and library design.

Vainio MJ, Kogej T, Raubacher F. Vainio MJ, et al. J Chem Inf Model. 2012 Jul 23;52(7):1777-86. doi: 10.1021/ci300157m. Epub 2012 Jul 2. J Chem Inf Model. 2012. PMID: 22657574

10

Scaffold hopping by fragment replacement.

Vainio MJ, Kogej T, Raubacher F, Sadowski J. Vainio MJ, et al. J Chem Inf Model. 2013 Jul 22;53(7):1825-35. doi: 10.1021/ci4001019. Epub 2013 Jul 11. J Chem Inf Model. 2013. PMID: 23826858

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