Muchmore SW - Search Results

1

Application of belief theory to similarity data fusion for use in analog searching and lead hopping.

Muchmore SW, Debe DA, Metz JT, Brown SP, Martin YC, Hajduk PJ. Muchmore SW, et al. J Chem Inf Model. 2008 May;48(5):941-8. doi: 10.1021/ci7004498. Epub 2008 Apr 17. J Chem Inf Model. 2008. PMID: 18416545

2

Crystallography, NMR and virtual screening: integrated tools for drug discovery.

Muchmore SW, Hajduk PJ. Muchmore SW, et al. Curr Opin Drug Discov Devel. 2003 Jul;6(4):544-9. Curr Opin Drug Discov Devel. 2003. PMID: 12951817 Review.

3

High-throughput calculation of protein-ligand binding affinities: modification and adaptation of the MM-PBSA protocol to enterprise grid computing.

Brown SP, Muchmore SW. Brown SP, et al. Among authors: muchmore sw. J Chem Inf Model. 2006 May-Jun;46(3):999-1005. doi: 10.1021/ci050488t. J Chem Inf Model. 2006. PMID: 16711718

4

Rapid estimation of relative protein-ligand binding affinities using a high-throughput version of MM-PBSA.

Brown SP, Muchmore SW. Brown SP, et al. Among authors: muchmore sw. J Chem Inf Model. 2007 Jul-Aug;47(4):1493-503. doi: 10.1021/ci700041j. Epub 2007 May 23. J Chem Inf Model. 2007. PMID: 17518461

5

Healthy skepticism: assessing realistic model performance.

Brown SP, Muchmore SW, Hajduk PJ. Brown SP, et al. Among authors: muchmore sw. Drug Discov Today. 2009 Apr;14(7-8):420-7. doi: 10.1016/j.drudis.2009.01.012. Drug Discov Today. 2009. PMID: 19340931 Review.

6

Large-scale application of high-throughput molecular mechanics with Poisson-Boltzmann surface area for routine physics-based scoring of protein-ligand complexes.

Brown SP, Muchmore SW. Brown SP, et al. Among authors: muchmore sw. J Med Chem. 2009 May 28;52(10):3159-65. doi: 10.1021/jm801444x. J Med Chem. 2009. PMID: 19385614

7

Cheminformatic tools for medicinal chemists.

Muchmore SW, Edmunds JJ, Stewart KD, Hajduk PJ. Muchmore SW, et al. J Med Chem. 2010 Jul 8;53(13):4830-41. doi: 10.1021/jm100164z. J Med Chem. 2010. PMID: 20329801 No abstract available.

8

A unified, probabilistic framework for structure- and ligand-based virtual screening.

Swann SL, Brown SP, Muchmore SW, Patel H, Merta P, Locklear J, Hajduk PJ. Swann SL, et al. Among authors: muchmore sw. J Med Chem. 2011 Mar 10;54(5):1223-32. doi: 10.1021/jm1013677. Epub 2011 Feb 10. J Med Chem. 2011. PMID: 21309579

9

POSIT: Flexible Shape-Guided Docking For Pose Prediction.

Kelley BP, Brown SP, Warren GL, Muchmore SW. Kelley BP, et al. Among authors: muchmore sw. J Chem Inf Model. 2015 Aug 24;55(8):1771-80. doi: 10.1021/acs.jcim.5b00142. Epub 2015 Jul 24. J Chem Inf Model. 2015. PMID: 26151876

10

ALOHA: a novel probability fusion approach for scoring multi-parameter drug-likeness during the lead optimization stage of drug discovery.

Debe DA, Mamidipaka RB, Gregg RJ, Metz JT, Gupta RR, Muchmore SW. Debe DA, et al. Among authors: muchmore sw. J Comput Aided Mol Des. 2013 Sep;27(9):771-82. doi: 10.1007/s10822-013-9679-x. Epub 2013 Oct 11. J Comput Aided Mol Des. 2013. PMID: 24113765

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