Kingsley LJ - Search Results

1

Importance of model size in quantum mechanical studies of DNA intercalation.

Harding DP, Kingsley LJ, Spraggon G, Wheeler SE. Harding DP, et al. Among authors: kingsley lj. J Comput Chem. 2020 May 5;41(12):1175-1184. doi: 10.1002/jcc.26164. Epub 2020 Feb 3. J Comput Chem. 2020. PMID: 32011009

2

The next generation's Frankenstein films.

Nguyen J, Newton MS, Strong M, Pačesa M, Cao B, Winter KA, Dutton-Regester K, Kingsley LJ. Nguyen J, et al. Among authors: kingsley lj. Science. 2018 Jan 12;359(6372):170-171. doi: 10.1126/science.aas9105. Science. 2018. PMID: 29326265 No abstract available.

3

Development of a virtual reality platform for effective communication of structural data in drug discovery.

Kingsley LJ, Brunet V, Lelais G, McCloskey S, Milliken K, Leija E, Fuhs SR, Wang K, Zhou E, Spraggon G. Kingsley LJ, et al. J Mol Graph Model. 2019 Jun;89:234-241. doi: 10.1016/j.jmgm.2019.03.010. Epub 2019 Mar 12. J Mol Graph Model. 2019. PMID: 30921557 Free article.

4

Hexamerization of Anti-SARS CoV IgG1 Antibodies Improves Neutralization Capacity.

Pande K, Hollingsworth SA, Sam M, Gao Q, Singh S, Saha A, Vroom K, Ma XS, Brazell T, Gorman D, Chen SJ, Raoufi F, Bailly M, Grandy D, Sathiyamoorthy K, Zhang L, Thompson R, Cheng AC, Fayadat-Dilman L, Geierstanger BH, Kingsley LJ. Pande K, et al. Among authors: kingsley lj. Front Immunol. 2022 May 4;13:864775. doi: 10.3389/fimmu.2022.864775. eCollection 2022. Front Immunol. 2022. PMID: 35603164 Free PMC article.

5

Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology.

Kingsley LJ, He X, McNeill M, Nelson J, Nikulin V, Ma Z, Lu W, Zhou VW, Manuia M, Kreusch A, Gao MY, Witmer D, Vaillancourt MT, Lu M, Greenblatt S, Lee C, Vashisht A, Bender S, Spraggon G, Michellys PY, Jia Y, Haling JR, Lelais G. Kingsley LJ, et al. J Med Chem. 2021 Apr 22;64(8):4857-4869. doi: 10.1021/acs.jmedchem.0c02152. Epub 2021 Apr 6. J Med Chem. 2021. PMID: 33821636

6

Ranking protein-protein docking results using steered molecular dynamics and potential of mean force calculations.

Kingsley LJ, Esquivel-Rodríguez J, Yang Y, Kihara D, Lill MA. Kingsley LJ, et al. J Comput Chem. 2016 Jul;37(20):1861-5. doi: 10.1002/jcc.24412. Epub 2016 May 27. J Comput Chem. 2016. PMID: 27232548 Free PMC article.

7

Substrate tunnels in enzymes: structure-function relationships and computational methodology.

Kingsley LJ, Lill MA. Kingsley LJ, et al. Proteins. 2015 Apr;83(4):599-611. doi: 10.1002/prot.24772. Epub 2015 Feb 28. Proteins. 2015. PMID: 25663659 Free PMC article. Review.

8

Combining structure- and ligand-based approaches to improve site of metabolism prediction in CYP2C9 substrates.

Kingsley LJ, Wilson GL, Essex ME, Lill MA. Kingsley LJ, et al. Pharm Res. 2015 Mar;32(3):986-1001. doi: 10.1007/s11095-014-1511-3. Epub 2014 Sep 11. Pharm Res. 2015. PMID: 25208877 Free PMC article.

9

Including ligand-induced protein flexibility into protein tunnel prediction.

Kingsley LJ, Lill MA. Kingsley LJ, et al. J Comput Chem. 2014 Sep 15;35(24):1748-56. doi: 10.1002/jcc.23680. Epub 2014 Jul 5. J Comput Chem. 2014. PMID: 25043499 Free PMC article.

10

Ensemble generation and the influence of protein flexibility on geometric tunnel prediction in cytochrome P450 enzymes.

Kingsley LJ, Lill MA. Kingsley LJ, et al. PLoS One. 2014 Jun 23;9(6):e99408. doi: 10.1371/journal.pone.0099408. eCollection 2014. PLoS One. 2014. PMID: 24956479 Free PMC article.

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