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Items: 7

1.

A Practical Perspective: The Effect of Ligand Conformers on the Negative Image-Based Screening.

Ahinko M, Kurkinen ST, Niinivehmas SP, Pentikäinen OT, Postila PA.

Int J Mol Sci. 2019 Jun 6;20(11). pii: E2779. doi: 10.3390/ijms20112779.

2.

Identification of the Privileged Position in the Imidazo[1,2-a]pyridine Ring of Phosphonocarboxylates for Development of Rab Geranylgeranyl Transferase (RGGT) Inhibitors.

Kaźmierczak A, Kusy D, Niinivehmas SP, Gmach J, Joachimiak Ł, Pentikäinen OT, Gendaszewska-Darmach E, Błażewska KM.

J Med Chem. 2017 Nov 9;60(21):8781-8800. doi: 10.1021/acs.jmedchem.7b00811. Epub 2017 Oct 17.

PMID:
28953373
3.

Identification of estrogen receptor α ligands with virtual screening techniques.

Niinivehmas SP, Manivannan E, Rauhamäki S, Huuskonen J, Pentikäinen OT.

J Mol Graph Model. 2016 Mar;64:30-39. doi: 10.1016/j.jmgm.2015.12.006. Epub 2016 Jan 4.

PMID:
26774287
4.

Case-specific performance of MM-PBSA, MM-GBSA, and SIE in virtual screening.

Virtanen SI, Niinivehmas SP, Pentikäinen OT.

J Mol Graph Model. 2015 Nov;62:303-318. doi: 10.1016/j.jmgm.2015.10.012. Epub 2015 Oct 30.

PMID:
26550792
5.

Ultrafast protein structure-based virtual screening with Panther.

Niinivehmas SP, Salokas K, Lätti S, Raunio H, Pentikäinen OT.

J Comput Aided Mol Des. 2015 Oct;29(10):989-1006. doi: 10.1007/s10822-015-9870-3. Epub 2015 Sep 25.

PMID:
26407559
6.

Molecular mechanism of T-cell protein tyrosine phosphatase (TCPTP) activation by mitoxantrone.

Ylilauri M, Mattila E, Nurminen EM, Käpylä J, Niinivehmas SP, Määttä JA, Pentikäinen U, Ivaska J, Pentikäinen OT.

Biochim Biophys Acta. 2013 Oct;1834(10):1988-97. doi: 10.1016/j.bbapap.2013.07.001. Epub 2013 Jul 12.

PMID:
23856547
7.

Comparison of virtual high-throughput screening methods for the identification of phosphodiesterase-5 inhibitors.

Niinivehmas SP, Virtanen SI, Lehtonen JV, Postila PA, Pentikäinen OT.

J Chem Inf Model. 2011 Jun 27;51(6):1353-63. doi: 10.1021/ci1004527. Epub 2011 Jun 1.

PMID:
21591817

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