Bender A - Search Results

1

Characterization of activity landscapes using 2D and 3D similarity methods: consensus activity cliffs.

Medina-Franco JL, Martínez-Mayorga K, Bender A, Marín RM, Giulianotti MA, Pinilla C, Houghten RA. Medina-Franco JL, et al. Among authors: bender a. J Chem Inf Model. 2009 Feb;49(2):477-91. doi: 10.1021/ci800379q. J Chem Inf Model. 2009. PMID: 19434846

2

A discussion of measures of enrichment in virtual screening: comparing the information content of descriptors with increasing levels of sophistication.

Bender A, Glen RC. Bender A, et al. J Chem Inf Model. 2005 Sep-Oct;45(5):1369-75. doi: 10.1021/ci0500177. J Chem Inf Model. 2005. PMID: 16180913

3

Characterizing bitterness: identification of key structural features and development of a classification model.

Rodgers S, Glen RC, Bender A. Rodgers S, et al. Among authors: bender a. J Chem Inf Model. 2006 Mar-Apr;46(2):569-76. doi: 10.1021/ci0504418. J Chem Inf Model. 2006. PMID: 16562985

4

Analysis of activity space by fragment fingerprints, 2D descriptors, and multitarget dependent transformation of 2D descriptors.

Givehchi A, Bender A, Glen RC. Givehchi A, et al. Among authors: bender a. J Chem Inf Model. 2006 May-Jun;46(3):1078-83. doi: 10.1021/ci0500233. J Chem Inf Model. 2006. PMID: 16711727

5

How similar are similarity searching methods? A principal component analysis of molecular descriptor space.

Bender A, Jenkins JL, Scheiber J, Sukuru SC, Glick M, Davies JW. Bender A, et al. J Chem Inf Model. 2009 Jan;49(1):108-19. doi: 10.1021/ci800249s. J Chem Inf Model. 2009. PMID: 19123924

6

Dynamic clustering threshold reduces conformer ensemble size while maintaining a biologically relevant ensemble.

Yongye AB, Bender A, Martínez-Mayorga K. Yongye AB, et al. Among authors: bender a. J Comput Aided Mol Des. 2010 Aug;24(8):675-86. doi: 10.1007/s10822-010-9365-1. Epub 2010 May 25. J Comput Aided Mol Des. 2010. PMID: 20499135 Free PMC article.

7

Increased diversity of libraries from libraries: chemoinformatic analysis of bis-diazacyclic libraries.

López-Vallejo F, Nefzi A, Bender A, Owen JR, Nabney IT, Houghten RA, Medina-Franco JL. López-Vallejo F, et al. Among authors: bender a. Chem Biol Drug Des. 2011 May;77(5):328-42. doi: 10.1111/j.1747-0285.2011.01100.x. Epub 2011 Mar 1. Chem Biol Drug Des. 2011. PMID: 21294850 Free PMC article.

8

Computational prediction of metabolism: sites, products, SAR, P450 enzyme dynamics, and mechanisms.

Kirchmair J, Williamson MJ, Tyzack JD, Tan L, Bond PJ, Bender A, Glen RC. Kirchmair J, et al. Among authors: bender a. J Chem Inf Model. 2012 Mar 26;52(3):617-48. doi: 10.1021/ci200542m. Epub 2012 Feb 17. J Chem Inf Model. 2012. PMID: 22339582 Free PMC article. Review.

9

Recognizing pitfalls in virtual screening: a critical review.

Scior T, Bender A, Tresadern G, Medina-Franco JL, Martínez-Mayorga K, Langer T, Cuanalo-Contreras K, Agrafiotis DK. Scior T, et al. Among authors: bender a. J Chem Inf Model. 2012 Apr 23;52(4):867-81. doi: 10.1021/ci200528d. Epub 2012 Apr 6. J Chem Inf Model. 2012. PMID: 22435959 Review.

10

Analyzing multitarget activity landscapes using protein-ligand interaction fingerprints: interaction cliffs.

Méndez-Lucio O, Kooistra AJ, de Graaf C, Bender A, Medina-Franco JL. Méndez-Lucio O, et al. Among authors: bender a. J Chem Inf Model. 2015 Feb 23;55(2):251-62. doi: 10.1021/ci500721x. Epub 2015 Feb 6. J Chem Inf Model. 2015. PMID: 25615841

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