Pearlstein RA - Search Results

1

Uncoupling the Structure-Activity Relationships of β2 Adrenergic Receptor Ligands from Membrane Binding.

Dickson CJ, Hornak V, Velez-Vega C, McKay DJ, Reilly J, Sandham DA, Shaw D, Fairhurst RA, Charlton SJ, Sykes DA, Pearlstein RA, Duca JS. Dickson CJ, et al. Among authors: pearlstein ra. J Med Chem. 2016 Jun 23;59(12):5780-9. doi: 10.1021/acs.jmedchem.6b00358. Epub 2016 Jun 7. J Med Chem. 2016. PMID: 27239696

2

Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling.

Dickson CJ, Hornak V, Pearlstein RA, Duca JS. Dickson CJ, et al. Among authors: pearlstein ra. J Am Chem Soc. 2017 Jan 11;139(1):442-452. doi: 10.1021/jacs.6b11215. Epub 2016 Dec 21. J Am Chem Soc. 2017. PMID: 27951634

3

Building New Bridges between In Vitro and In Vivo in Early Drug Discovery: Where Molecular Modeling Meets Systems Biology.

Pearlstein RA, McKay DJJ, Hornak V, Dickson C, Golosov A, Harrison T, Velez-Vega C, Duca J. Pearlstein RA, et al. Curr Top Med Chem. 2017;17(23):2642-2662. doi: 10.2174/1568026617666170414152311. Curr Top Med Chem. 2017. PMID: 28413952 Review.

4

Time-averaged distributions of solute and solvent motions: exploring proton wires of GFP and PfM2DH.

Velez-Vega C, McKay DJ, Aravamuthan V, Pearlstein R, Duca JS. Velez-Vega C, et al. J Chem Inf Model. 2014 Dec 22;54(12):3344-61. doi: 10.1021/ci500571h. Epub 2014 Nov 26. J Chem Inf Model. 2014. PMID: 25405925

5

Implications of Dynamic Occupancy, Binding Kinetics, and Channel Gating Kinetics for hERG Blocker Safety Assessment and Mitigation.

Pearlstein RA, MacCannell KA, Erdemli G, Yeola S, Helmlinger G, Hu QY, Farid R, Egan W, Whitebread S, Springer C, Beck J, Wang HR, Maciejewski M, Urban L, Duca JS. Pearlstein RA, et al. Curr Top Med Chem. 2016;16(16):1792-818. doi: 10.2174/1568026616666160315142156. Curr Top Med Chem. 2016. PMID: 26975508 Review.

6

Contributions of the membrane dipole potential to the function of voltage-gated cation channels and modulation by small molecule potentiators.

Pearlstein RA, Dickson CJ, Hornak V. Pearlstein RA, et al. Biochim Biophys Acta Biomembr. 2017 Feb;1859(2):177-194. doi: 10.1016/j.bbamem.2016.11.005. Epub 2016 Nov 9. Biochim Biophys Acta Biomembr. 2017. PMID: 27836643 Free article.

7

Estimation of Solvation Entropy and Enthalpy via Analysis of Water Oxygen-Hydrogen Correlations.

Velez-Vega C, McKay DJ, Kurtzman T, Aravamuthan V, Pearlstein RA, Duca JS. Velez-Vega C, et al. Among authors: pearlstein ra. J Chem Theory Comput. 2015 Nov 10;11(11):5090-102. doi: 10.1021/acs.jctc.5b00439. Epub 2015 Oct 21. J Chem Theory Comput. 2015. PMID: 26574307 Free PMC article.

8

Structure-kinetic relationship of carbapenem antibacterials permeating through E. coli OmpC porin.

Tran QT, Pearlstein RA, Williams S, Reilly J, Krucker T, Erdemli G. Tran QT, et al. Among authors: pearlstein ra. Proteins. 2014 Nov;82(11):2998-3012. doi: 10.1002/prot.24659. Epub 2014 Aug 21. Proteins. 2014. PMID: 25082756

9

Molecular modeling studies of aldose reductase inhibitors.

Lee YS, Pearlstein R, Kador PF. Lee YS, et al. J Med Chem. 1994 Mar 18;37(6):787-92. doi: 10.1021/jm00032a011. J Med Chem. 1994. PMID: 8145228

10

Comparative molecular field analysis of selective A3 adenosine receptor agonists.

Siddiqi SM, Pearlstein RA, Sanders LH, Jacobson KA. Siddiqi SM, et al. Among authors: pearlstein ra. Bioorg Med Chem. 1995 Oct;3(10):1331-43. doi: 10.1016/0968-0896(95)00116-x. Bioorg Med Chem. 1995. PMID: 8564399 Free PMC article.

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