Baumgartner MP - Search Results

1

Lessons learned in empirical scoring with smina from the CSAR 2011 benchmarking exercise.

Koes DR, Baumgartner MP, Camacho CJ. Koes DR, et al. Among authors: baumgartner mp. J Chem Inf Model. 2013 Aug 26;53(8):1893-904. doi: 10.1021/ci300604z. Epub 2013 Feb 12. J Chem Inf Model. 2013. PMID: 23379370 Free PMC article.

2

Peroxidase activation of cytoglobin by anionic phospholipids: Mechanisms and consequences.

Tejero J, Kapralov AA, Baumgartner MP, Sparacino-Watkins CE, Anthonymutu TS, Vlasova II, Camacho CJ, Gladwin MT, Bayir H, Kagan VE. Tejero J, et al. Among authors: baumgartner mp. Biochim Biophys Acta. 2016 May;1861(5):391-401. doi: 10.1016/j.bbalip.2016.02.022. Epub 2016 Feb 27. Biochim Biophys Acta. 2016. PMID: 26928591 Free PMC article.

3

Optimal strategies for virtual screening of induced-fit and flexible target in the 2015 D3R Grand Challenge.

Ye Z, Baumgartner MP, Wingert BM, Camacho CJ. Ye Z, et al. Among authors: baumgartner mp. J Comput Aided Mol Des. 2016 Sep;30(9):695-706. doi: 10.1007/s10822-016-9941-0. Epub 2016 Aug 29. J Comput Aided Mol Des. 2016. PMID: 27573981 Free PMC article.

4

Lessons learned in induced fit docking and metadynamics in the Drug Design Data Resource Grand Challenge 2.

Baumgartner MP, Evans DA. Baumgartner MP, et al. J Comput Aided Mol Des. 2018 Jan;32(1):45-58. doi: 10.1007/s10822-017-0081-y. Epub 2017 Nov 10. J Comput Aided Mol Des. 2018. PMID: 29127581

5

Choosing the Optimal Rigid Receptor for Docking and Scoring in the CSAR 2013/2014 Experiment.

Baumgartner MP, Camacho CJ. Baumgartner MP, et al. J Chem Inf Model. 2016 Jun 27;56(6):1004-12. doi: 10.1021/acs.jcim.5b00338. Epub 2015 Aug 7. J Chem Inf Model. 2016. PMID: 26222931 Free PMC article.

6

Fluorescence Polarization Screening Assays for Small Molecule Allosteric Modulators of ABL Kinase Function.

Grover P, Shi H, Baumgartner M, Camacho CJ, Smithgall TE. Grover P, et al. PLoS One. 2015 Jul 29;10(7):e0133590. doi: 10.1371/journal.pone.0133590. eCollection 2015. PLoS One. 2015. PMID: 26222440 Free PMC article.

7

A Discovery Strategy for Selective Inhibitors of c-Src in Complex with the Focal Adhesion Kinase SH3/SH2-binding Region.

Moroco JA, Baumgartner MP, Rust HL, Choi HG, Hur W, Gray NS, Camacho CJ, Smithgall TE. Moroco JA, et al. Among authors: baumgartner mp. Chem Biol Drug Des. 2015 Aug;86(2):144-55. doi: 10.1111/cbdd.12473. Epub 2014 Nov 28. Chem Biol Drug Des. 2015. PMID: 25376742 Free PMC article.

8

Creating a Virtual Assistant for Medicinal Chemistry.

Vidler LR, Baumgartner MP. Vidler LR, et al. Among authors: baumgartner mp. ACS Med Chem Lett. 2019 Jun 7;10(7):1051-1055. doi: 10.1021/acsmedchemlett.9b00151. eCollection 2019 Jul 11. ACS Med Chem Lett. 2019. PMID: 31312407 Free PMC article.

9

Case series: Pyramidal cataracts, intact irides and nystagmus from three novel PAX6 mutations.

Chauhan BK, Medsinge A, Baumgartner MP, Scanga HL, Kamakari S, Gajdosova E, Camacho CJ, Nischal KK. Chauhan BK, et al. Among authors: baumgartner mp. Am J Ophthalmol Case Rep. 2018 Feb 28;10:172-179. doi: 10.1016/j.ajoc.2018.02.021. eCollection 2018 Jun. Am J Ophthalmol Case Rep. 2018. PMID: 29780932 Free PMC article.

10

Discovery of a novel activator of 5-lipoxygenase from an anacardic acid derived compound collection.

Wisastra R, Kok PA, Eleftheriadis N, Baumgartner MP, Camacho CJ, Haisma HJ, Dekker FJ. Wisastra R, et al. Among authors: baumgartner mp. Bioorg Med Chem. 2013 Dec 15;21(24):7763-78. doi: 10.1016/j.bmc.2013.10.015. Epub 2013 Oct 23. Bioorg Med Chem. 2013. PMID: 24231650 Free PMC article.

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