Jacobson MP - Search Results

1

Dihedral Angle-Based Sampling of Natural Product Polyketide Conformations: Application to Permeability Prediction.

Wang Q, Sciabola S, Barreiro G, Hou X, Bai G, Shapiro MJ, Koehn F, Villalobos A, Jacobson MP. Wang Q, et al. Among authors: jacobson mp. J Chem Inf Model. 2016 Nov 28;56(11):2194-2206. doi: 10.1021/acs.jcim.6b00237. Epub 2016 Oct 21. J Chem Inf Model. 2016. PMID: 27731994

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

Conformational flexibility, internal hydrogen bonding, and passive membrane permeability: successful in silico prediction of the relative permeabilities of cyclic peptides.

Rezai T, Bock JE, Zhou MV, Kalyanaraman C, Lokey RS, Jacobson MP. Rezai T, et al. Among authors: jacobson mp. J Am Chem Soc. 2006 Nov 1;128(43):14073-80. doi: 10.1021/ja063076p. J Am Chem Soc. 2006. PMID: 17061890

4

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

5

Structural model and functional significance of pH-dependent talin-actin binding for focal adhesion remodeling.

Srivastava J, Barreiro G, Groscurth S, Gingras AR, Goult BT, Critchley DR, Kelly MJ, Jacobson MP, Barber DL. Srivastava J, et al. Among authors: jacobson mp. Proc Natl Acad Sci U S A. 2008 Sep 23;105(38):14436-41. doi: 10.1073/pnas.0805163105. Epub 2008 Sep 9. Proc Natl Acad Sci U S A. 2008. PMID: 18780792 Free PMC article.

6

Cofilin is a pH sensor for actin free barbed end formation: role of phosphoinositide binding.

Frantz C, Barreiro G, Dominguez L, Chen X, Eddy R, Condeelis J, Kelly MJ, Jacobson MP, Barber DL. Frantz C, et al. Among authors: jacobson mp. J Cell Biol. 2008 Dec 1;183(5):865-79. doi: 10.1083/jcb.200804161. Epub 2008 Nov 24. J Cell Biol. 2008. PMID: 19029335 Free PMC article.

7

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.

8

Testing physical models of passive membrane permeation.

Leung SS, Mijalkovic J, Borrelli K, Jacobson MP. Leung SS, et al. Among authors: jacobson mp. J Chem Inf Model. 2012 Jun 25;52(6):1621-36. doi: 10.1021/ci200583t. Epub 2012 May 24. J Chem Inf Model. 2012. PMID: 22621168 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

Prediction of substrates for glutathione transferases by covalent docking.

Dong GQ, Calhoun S, Fan H, Kalyanaraman C, Branch MC, Mashiyama ST, London N, Jacobson MP, Babbitt PC, Shoichet BK, Armstrong RN, Sali A. Dong GQ, et al. Among authors: jacobson mp. J Chem Inf Model. 2014 Jun 23;54(6):1687-99. doi: 10.1021/ci5001554. Epub 2014 May 16. J Chem Inf Model. 2014. PMID: 24802635 Free PMC article.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

205 results

Search Page

Filters