Johnson SR - Search Results

1

Electrostatic-field and surface-shape similarity for virtual screening and pose prediction.

Cleves AE, Johnson SR, Jain AN. Cleves AE, et al. Among authors: johnson sr. J Comput Aided Mol Des. 2019 Oct;33(10):865-886. doi: 10.1007/s10822-019-00236-6. Epub 2019 Oct 24. J Comput Aided Mol Des. 2019. PMID: 31650386 Free PMC article.

2

Synergy and Complementarity between Focused Machine Learning and Physics-Based Simulation in Affinity Prediction.

Cleves AE, Johnson SR, Jain AN. Cleves AE, et al. Among authors: johnson sr. J Chem Inf Model. 2021 Dec 27;61(12):5948-5966. doi: 10.1021/acs.jcim.1c01382. Epub 2021 Dec 10. J Chem Inf Model. 2021. PMID: 34890185 Free article.

3

In silico ADME/Tox: why models fail.

Stouch TR, Kenyon JR, Johnson SR, Chen XQ, Doweyko A, Li Y. Stouch TR, et al. Among authors: johnson sr. J Comput Aided Mol Des. 2003 Feb-Apr;17(2-4):83-92. doi: 10.1023/a:1025358319677. J Comput Aided Mol Des. 2003. PMID: 13677477 Review.

4

3D matched pairs: integrating ligand- and structure-based knowledge for ligand design and receptor annotation.

Posy SL, Claus BL, Pokross ME, Johnson SR. Posy SL, et al. Among authors: johnson sr. J Chem Inf Model. 2013 Jul 22;53(7):1576-88. doi: 10.1021/ci400201k. Epub 2013 Jul 10. J Chem Inf Model. 2013. PMID: 23809058

5

Estimation of hERG inhibition of drug candidates using multivariate property and pharmacophore SAR.

Johnson SR, Yue H, Conder ML, Shi H, Doweyko AM, Lloyd J, Levesque P. Johnson SR, et al. Bioorg Med Chem. 2007 Sep 15;15(18):6182-92. doi: 10.1016/j.bmc.2007.06.028. Epub 2007 Jun 14. Bioorg Med Chem. 2007. PMID: 17596950

6

A novel method to simulate the hydrophobic effect and its application to the ranking of host/guest complexes.

Doweyko AM, Johnson SR. Doweyko AM, et al. Among authors: johnson sr. J Chem Inf Model. 2006 Nov-Dec;46(6):2563-73. doi: 10.1021/ci600188h. J Chem Inf Model. 2006. PMID: 17125196

7

A computational model for the prediction of aqueous solubility that includes crystal packing, intrinsic solubility, and ionization effects.

Johnson SR, Chen XQ, Murphy D, Gudmundsson O. Johnson SR, et al. Mol Pharm. 2007 Jul-Aug;4(4):513-23. doi: 10.1021/mp070030+. Epub 2007 Jun 1. Mol Pharm. 2007. PMID: 17539661

8

Grid computing in large pharmaceutical molecular modeling.

Claus BL, Johnson SR. Claus BL, et al. Among authors: johnson sr. Drug Discov Today. 2008 Jul;13(13-14):578-83. doi: 10.1016/j.drudis.2008.03.006. Epub 2008 May 3. Drug Discov Today. 2008. PMID: 18598912 Review.

9

NMR structure of a potent small molecule inhibitor bound to human keratinocyte fatty acid-binding protein.

McDonnell PA, Constantine KL, Goldfarb V, Johnson SR, Sulsky R, Magnin DR, Robl JA, Caulfield TJ, Parker RA, Taylor DS, Adam LP, Metzler WJ, Mueller L, Farmer BT 2nd. McDonnell PA, et al. Among authors: johnson sr. J Med Chem. 2006 Aug 10;49(16):5013-7. doi: 10.1021/jm060360i. J Med Chem. 2006. PMID: 16884313

10

A simple strategy for mitigating the effect of data variability on the identification of active chemotypes from high-throughput screening data.

Johnson SR, Padmanabha R, Vaccaro W, Hermsmeier M, Cacace A, Lawrence M, Dickey J, Esposito K, Pike K, Wong V, Poss M, Loughney D, Tebben A. Johnson SR, et al. J Biomol Screen. 2007 Mar;12(2):276-84. doi: 10.1177/1087057106297826. Epub 2007 Feb 1. J Biomol Screen. 2007. PMID: 17272827

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