Jacobson MP - Search Results

1

A structure-based model for predicting serum albumin binding.

Lexa KW, Dolghih E, Jacobson MP. Lexa KW, et al. Among authors: jacobson mp. PLoS One. 2014 Apr 1;9(4):e93323. doi: 10.1371/journal.pone.0093323. eCollection 2014. PLoS One. 2014. PMID: 24691448 Free PMC article.

2

Physics-based scoring of protein-ligand complexes: enrichment of known inhibitors in large-scale virtual screening.

Huang N, Kalyanaraman C, Irwin JJ, Jacobson MP. Huang N, et al. Among authors: jacobson mp. J Chem Inf Model. 2006 Jan-Feb;46(1):243-53. doi: 10.1021/ci0502855. J Chem Inf Model. 2006. PMID: 16426060

3

Molecular mechanics methods for predicting protein-ligand binding.

Huang N, Kalyanaraman C, Bernacki K, Jacobson MP. Huang N, et al. Among authors: jacobson mp. Phys Chem Chem Phys. 2006 Nov 28;8(44):5166-77. doi: 10.1039/b608269f. Epub 2006 Sep 1. Phys Chem Chem Phys. 2006. PMID: 17203140 Review.

4

Physics-based methods for studying protein-ligand interactions.

Huang N, Jacobson MP. Huang N, et al. Among authors: jacobson mp. Curr Opin Drug Discov Devel. 2007 May;10(3):325-31. Curr Opin Drug Discov Devel. 2007. PMID: 17554859 Review.

5

Conformational selection in silico: loop latching motions and ligand binding in enzymes.

Wong S, Jacobson MP. Wong S, et al. Among authors: jacobson mp. Proteins. 2008 Apr;71(1):153-64. doi: 10.1002/prot.21666. Proteins. 2008. PMID: 17932934

6

Rescoring docking hit lists for model cavity sites: predictions and experimental testing.

Graves AP, Shivakumar DM, Boyce SE, Jacobson MP, Case DA, Shoichet BK. Graves AP, et al. Among authors: jacobson mp. J Mol Biol. 2008 Mar 28;377(3):914-34. doi: 10.1016/j.jmb.2008.01.049. Epub 2008 Jan 30. J Mol Biol. 2008. PMID: 18280498 Free PMC article.

7

Predicting binding to p-glycoprotein by flexible receptor docking.

Dolghih E, Bryant C, Renslo AR, Jacobson MP. Dolghih E, et al. Among authors: jacobson mp. PLoS Comput Biol. 2011 Jun;7(6):e1002083. doi: 10.1371/journal.pcbi.1002083. Epub 2011 Jun 23. PLoS Comput Biol. 2011. PMID: 21731480 Free PMC article.

8

A molecular mechanics approach to modeling protein-ligand interactions: relative binding affinities in congeneric series.

Rapp C, Kalyanaraman C, Schiffmiller A, Schoenbrun EL, Jacobson MP. Rapp C, et al. Among authors: jacobson mp. J Chem Inf Model. 2011 Sep 26;51(9):2082-9. doi: 10.1021/ci200033n. Epub 2011 Aug 9. J Chem Inf Model. 2011. PMID: 21780805 Free PMC article.

9

Predicting efflux ratios and blood-brain barrier penetration from chemical structure: combining passive permeability with active efflux by P-glycoprotein.

Dolghih E, Jacobson MP. Dolghih E, et al. Among authors: jacobson mp. ACS Chem Neurosci. 2013 Feb 20;4(2):361-7. doi: 10.1021/cn3001922. Epub 2012 Dec 11. ACS Chem Neurosci. 2013. PMID: 23421687 Free PMC article.

10

2-Aminothiazoles with improved pharmacotherapeutic properties for treatment of prion disease.

Li Z, Silber BM, Rao S, Gever JR, Bryant C, Gallardo-Godoy A, Dolghih E, Widjaja K, Elepano M, Jacobson MP, Prusiner SB, Renslo AR. Li Z, et al. Among authors: jacobson mp. ChemMedChem. 2013 May;8(5):847-57. doi: 10.1002/cmdc.201300007. Epub 2013 Mar 18. ChemMedChem. 2013. PMID: 23509039 Free PMC article.

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