F32 GM100619/GM/NIGMS NIH HHS/United States[Grants and Funding] - Search Results

Year	Number of Results
2007	1
2009	2
2010	1
2011	3
2012	2
2014	1
2015	2
2016	1
2017	1
2024	0

1

Protein flexibility in docking and surface mapping.

Lexa KW, Carlson HA. Lexa KW, et al. Q Rev Biophys. 2012 Aug;45(3):301-43. doi: 10.1017/S0033583512000066. Epub 2012 May 9. Q Rev Biophys. 2012. PMID: 22569329 Free PMC article. Review.

2

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.

3

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.

4

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.

5

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.

6

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.

7

De novo mutations in KIF1A cause progressive encephalopathy and brain atrophy.

Esmaeeli Nieh S, Madou MR, Sirajuddin M, Fregeau B, McKnight D, Lexa K, Strober J, Spaeth C, Hallinan BE, Smaoui N, Pappas JG, Burrow TA, McDonald MT, Latibashvili M, Leshinsky-Silver E, Lev D, Blumkin L, Vale RD, Barkovich AJ, Sherr EH. Esmaeeli Nieh S, et al. Ann Clin Transl Neurol. 2015 Jun;2(6):623-35. doi: 10.1002/acn3.198. Epub 2015 May 1. Ann Clin Transl Neurol. 2015. PMID: 26125038 Free PMC article.

8

Ramachandran-type plots for glycosidic linkages: Examples from molecular dynamic simulations using the Glycam06 force field.

Salisburg AM, Deline AL, Lexa KW, Shields GC, Kirschner KN. Salisburg AM, et al. J Comput Chem. 2009 Apr 30;30(6):910-21. doi: 10.1002/jcc.21099. J Comput Chem. 2009. PMID: 18785152

9

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.

10

Structure of a peptidoglycan amidase effector targeted to Gram-negative bacteria by the type VI secretion system.

Chou S, Bui NK, Russell AB, Lexa KW, Gardiner TE, LeRoux M, Vollmer W, Mougous JD. Chou S, et al. Cell Rep. 2012 Jun 28;1(6):656-64. doi: 10.1016/j.celrep.2012.05.016. Epub 2012 May 31. Cell Rep. 2012. PMID: 22813741 Free PMC article.

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