Lindert S - Search Results

1

Exploring the role of receptor flexibility in structure-based drug discovery.

Feixas F, Lindert S, Sinko W, McCammon JA. Feixas F, et al. Among authors: lindert s. Biophys Chem. 2014 Feb;186:31-45. doi: 10.1016/j.bpc.2013.10.007. Epub 2013 Nov 9. Biophys Chem. 2014. PMID: 24332165 Free PMC article. Review.

2

Insights into the catalytic mechanism of a bacterial deglycase essential for utilization of fructose-lysine.

Kovvali S, Gao Y, Cool A, Lindert S, Wysocki VH, Bell CE, Gopalan V. Kovvali S, et al. Among authors: lindert s. Protein Sci. 2023 Jul;32(7):e4695. doi: 10.1002/pro.4695. Protein Sci. 2023. PMID: 37289023 Free PMC article.

3

Dynamics and calcium association to the N-terminal regulatory domain of human cardiac troponin C: a multiscale computational study.

Lindert S, Kekenes-Huskey PM, Huber G, Pierce L, McCammon JA. Lindert S, et al. J Phys Chem B. 2012 Jul 26;116(29):8449-59. doi: 10.1021/jp212173f. Epub 2012 Feb 14. J Phys Chem B. 2012. PMID: 22329450 Free PMC article.

4

LigMerge: a fast algorithm to generate models of novel potential ligands from sets of known binders.

Lindert S, Durrant JD, McCammon JA. Lindert S, et al. Chem Biol Drug Des. 2012 Sep;80(3):358-65. doi: 10.1111/j.1747-0285.2012.01414.x. Epub 2012 Jun 27. Chem Biol Drug Des. 2012. PMID: 22594624 Free PMC article.

5

Dynamics of Plasmodium falciparum enoyl-ACP reductase and implications on drug discovery.

Lindert S, McCammon JA. Lindert S, et al. Protein Sci. 2012 Nov;21(11):1734-45. doi: 10.1002/pro.2155. Epub 2012 Oct 9. Protein Sci. 2012. PMID: 22969045 Free PMC article.

6

Long-timescale molecular dynamics simulations elucidate the dynamics and kinetics of exposure of the hydrophobic patch in troponin C.

Lindert S, Kekenes-Huskey PM, McCammon JA. Lindert S, et al. Biophys J. 2012 Oct 17;103(8):1784-9. doi: 10.1016/j.bpj.2012.08.058. Epub 2012 Oct 16. Biophys J. 2012. PMID: 23083722 Free PMC article.

7

Molecular basis of calcium-sensitizing and desensitizing mutations of the human cardiac troponin C regulatory domain: a multi-scale simulation study.

Kekenes-Huskey PM, Lindert S, McCammon JA. Kekenes-Huskey PM, et al. Among authors: lindert s. PLoS Comput Biol. 2012;8(11):e1002777. doi: 10.1371/journal.pcbi.1002777. Epub 2012 Nov 29. PLoS Comput Biol. 2012. PMID: 23209387 Free PMC article.

8

Antibacterial drug leads targeting isoprenoid biosynthesis.

Zhu W, Zhang Y, Sinko W, Hensler ME, Olson J, Molohon KJ, Lindert S, Cao R, Li K, Wang K, Wang Y, Liu YL, Sankovsky A, de Oliveira CA, Mitchell DA, Nizet V, McCammon JA, Oldfield E. Zhu W, et al. Among authors: lindert s. Proc Natl Acad Sci U S A. 2013 Jan 2;110(1):123-8. doi: 10.1073/pnas.1219899110. Epub 2012 Dec 17. Proc Natl Acad Sci U S A. 2013. PMID: 23248302 Free PMC article.

9

Accounting for receptor flexibility and enhanced sampling methods in computer-aided drug design.

Sinko W, Lindert S, McCammon JA. Sinko W, et al. Among authors: lindert s. Chem Biol Drug Des. 2013 Jan;81(1):41-9. doi: 10.1111/cbdd.12051. Chem Biol Drug Des. 2013. PMID: 23253130 Free PMC article. Review.

10

Farnesyl diphosphate synthase inhibitors from in silico screening.

Lindert S, Zhu W, Liu YL, Pang R, Oldfield E, McCammon JA. Lindert S, et al. Chem Biol Drug Des. 2013 Jun;81(6):742-8. doi: 10.1111/cbdd.12121. Chem Biol Drug Des. 2013. PMID: 23421555 Free PMC article.

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