Balius TE - Search Results

1

Evaluation of DOCK 6 as a pose generation and database enrichment tool.

Brozell SR, Mukherjee S, Balius TE, Roe DR, Case DA, Rizzo RC. Brozell SR, et al. Among authors: balius te. J Comput Aided Mol Des. 2012 Jun;26(6):749-73. doi: 10.1007/s10822-012-9565-y. Epub 2012 May 9. J Comput Aided Mol Des. 2012. PMID: 22569593 Free PMC article.

2

DOCK 6: Incorporating hierarchical traversal through precomputed ligand conformations to enable large-scale docking.

Balius TE, Tan YS, Chakrabarti M. Balius TE, et al. J Comput Chem. 2024 Jan 5;45(1):47-63. doi: 10.1002/jcc.27218. Epub 2023 Sep 25. J Comput Chem. 2024. PMID: 37743732

3

Quantitative prediction of fold resistance for inhibitors of EGFR.

Balius TE, Rizzo RC. Balius TE, et al. Biochemistry. 2009 Sep 8;48(35):8435-48. doi: 10.1021/bi900729a. Biochemistry. 2009. PMID: 19627157 Free PMC article.

4

Origins of resistance to the HIVgp41 viral entry inhibitor T20.

McGillick BE, Balius TE, Mukherjee S, Rizzo RC. McGillick BE, et al. Among authors: balius te. Biochemistry. 2010 May 4;49(17):3575-92. doi: 10.1021/bi901915g. Biochemistry. 2010. PMID: 20230061 Free PMC article.

5

Docking validation resources: protein family and ligand flexibility experiments.

Mukherjee S, Balius TE, Rizzo RC. Mukherjee S, et al. Among authors: balius te. J Chem Inf Model. 2010 Nov 22;50(11):1986-2000. doi: 10.1021/ci1001982. Epub 2010 Oct 29. J Chem Inf Model. 2010. PMID: 21033739 Free PMC article.

6

Implementation and evaluation of a docking-rescoring method using molecular footprint comparisons.

Balius TE, Mukherjee S, Rizzo RC. Balius TE, et al. J Comput Chem. 2011 Jul 30;32(10):2273-89. doi: 10.1002/jcc.21814. Epub 2011 May 3. J Comput Chem. 2011. PMID: 21541962 Free PMC article.

7

Targeting fatty acid binding protein (FABP) anandamide transporters - a novel strategy for development of anti-inflammatory and anti-nociceptive drugs.

Berger WT, Ralph BP, Kaczocha M, Sun J, Balius TE, Rizzo RC, Haj-Dahmane S, Ojima I, Deutsch DG. Berger WT, et al. Among authors: balius te. PLoS One. 2012;7(12):e50968. doi: 10.1371/journal.pone.0050968. Epub 2012 Dec 7. PLoS One. 2012. PMID: 23236415 Free PMC article.

8

Grid-based molecular footprint comparison method for docking and de novo design: application to HIVgp41.

Balius TE, Allen WJ, Mukherjee S, Rizzo RC. Balius TE, et al. J Comput Chem. 2013 May 30;34(14):1226-1240. doi: 10.1002/jcc.23245. Epub 2013 Feb 22. J Comput Chem. 2013. PMID: 23436713 Free PMC article.

9

DOCK 6: Impact of new features and current docking performance.

Allen WJ, Balius TE, Mukherjee S, Brozell SR, Moustakas DT, Lang PT, Case DA, Kuntz ID, Rizzo RC. Allen WJ, et al. Among authors: balius te. J Comput Chem. 2015 Jun 5;36(15):1132-56. doi: 10.1002/jcc.23905. J Comput Chem. 2015. PMID: 25914306 Free PMC article.

10

Computer-aided identification, synthesis, and biological evaluation of novel inhibitors for botulinum neurotoxin serotype A.

Teng YH, Berger WT, Nesbitt NM, Kumar K, Balius TE, Rizzo RC, Tonge PJ, Ojima I, Swaminathan S. Teng YH, et al. Among authors: balius te. Bioorg Med Chem. 2015 Sep 1;23(17):5489-95. doi: 10.1016/j.bmc.2015.07.040. Epub 2015 Jul 27. Bioorg Med Chem. 2015. PMID: 26275678

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