Lexa K - Search Results

1

"Site and Mutation"-Specific Predictions Enable Minimal Directed Evolution Libraries.

Moore JC, Rodriguez-Granillo A, Crespo A, Govindarajan S, Welch M, Hiraga K, Lexa K, Marshall N, Truppo MD. Moore JC, et al. Among authors: lexa k. ACS Synth Biol. 2018 Jul 20;7(7):1730-1741. doi: 10.1021/acssynbio.7b00359. Epub 2018 Jun 12. ACS Synth Biol. 2018. PMID: 29782150

2

Structure-Activity Relationship and Molecular Mechanics Reveal the Importance of Ring Entropy in the Biosynthesis and Activity of a Natural Product.

Tran HL, Lexa KW, Julien O, Young TS, Walsh CT, Jacobson MP, Wells JA. Tran HL, et al. J Am Chem Soc. 2017 Feb 22;139(7):2541-2544. doi: 10.1021/jacs.6b10792. Epub 2017 Feb 13. J Am Chem Soc. 2017. PMID: 28170244 Free PMC article.

3

A structure-based model for predicting serum albumin binding.

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

4

Beyond cyclosporine A: conformation-dependent passive membrane permeabilities of cyclic peptide natural products.

Ahlbach CL, Lexa KW, Bockus AT, Chen V, Crews P, Jacobson MP, Lokey RS. Ahlbach CL, et al. Future Med Chem. 2015;7(16):2121-30. doi: 10.4155/fmc.15.78. Epub 2015 Jun 12. Future Med Chem. 2015. PMID: 26067057 Free PMC article.

5

Exhaustive Conformational Sampling of Complex Fused Ring Macrocycles Using Inverse Kinematics.

Coutsias EA, Lexa KW, Wester MJ, Pollock SN, Jacobson MP. Coutsias EA, et al. J Chem Theory Comput. 2016 Sep 13;12(9):4674-87. doi: 10.1021/acs.jctc.6b00250. Epub 2016 Aug 4. J Chem Theory Comput. 2016. PMID: 27447193 Free PMC article.

6

Probing the Physicochemical Boundaries of Cell Permeability and Oral Bioavailability in Lipophilic Macrocycles Inspired by Natural Products.

Bockus AT, Lexa KW, Pye CR, Kalgutkar AS, Gardner JW, Hund KC, Hewitt WM, Schwochert JA, Glassey E, Price DA, Mathiowetz AM, Liras S, Jacobson MP, Lokey RS. Bockus AT, et al. J Med Chem. 2015 Jun 11;58(11):4581-9. doi: 10.1021/acs.jmedchem.5b00128. Epub 2015 May 20. J Med Chem. 2015. PMID: 25950816

7

Full protein flexibility is essential for proper hot-spot mapping.

Lexa KW, Carlson HA. Lexa KW, et al. J Am Chem Soc. 2011 Jan 19;133(2):200-2. doi: 10.1021/ja1079332. Epub 2010 Dec 15. J Am Chem Soc. 2011. PMID: 21158470 Free PMC article.

8

CSAR benchmark exercise of 2010: selection of the protein-ligand complexes.

Dunbar JB Jr, Smith RD, Yang CY, Ung PM, Lexa KW, Khazanov NA, Stuckey JA, Wang S, Carlson HA. Dunbar JB Jr, et al. J Chem Inf Model. 2011 Sep 26;51(9):2036-46. doi: 10.1021/ci200082t. Epub 2011 Jul 22. J Chem Inf Model. 2011. PMID: 21728306 Free PMC article.

9

Computational design and experimental discovery of an antiestrogenic peptide derived from alpha-fetoprotein.

Kirschner KN, Lexa KW, Salisburg AM, Alser KA, Joseph L, Andersen TT, Bennett JA, Jacobson HI, Shields GC. Kirschner KN, et al. J Am Chem Soc. 2007 May 16;129(19):6263-8. doi: 10.1021/ja070202w. Epub 2007 Apr 19. J Am Chem Soc. 2007. PMID: 17441722 Free PMC article.

10

Improving protocols for protein mapping through proper comparison to crystallography data.

Lexa KW, Carlson HA. Lexa KW, et al. J Chem Inf Model. 2013 Feb 25;53(2):391-402. doi: 10.1021/ci300430v. Epub 2013 Feb 13. J Chem Inf Model. 2013. PMID: 23327200 Free PMC article.

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