Meiler J - Search Results

1

Rosetta FlexPepDock to predict peptide-MHC binding: An approach for non-canonical amino acids.

Bloodworth N, Barbaro NR, Moretti R, Harrison DG, Meiler J. Bloodworth N, et al. Among authors: meiler j. PLoS One. 2022 Dec 13;17(12):e0275759. doi: 10.1371/journal.pone.0275759. eCollection 2022. PLoS One. 2022. PMID: 36512534 Free PMC article.

2

A physical model for PDZ-domain/peptide interactions.

Kaufmann K, Shen N, Mizoue L, Meiler J. Kaufmann K, et al. Among authors: meiler j. J Mol Model. 2011 Feb;17(2):315-24. doi: 10.1007/s00894-010-0725-5. Epub 2010 May 12. J Mol Model. 2011. PMID: 20461427 Free PMC article.

3

RosettaScripts: a scripting language interface to the Rosetta macromolecular modeling suite.

Fleishman SJ, Leaver-Fay A, Corn JE, Strauch EM, Khare SD, Koga N, Ashworth J, Murphy P, Richter F, Lemmon G, Meiler J, Baker D. Fleishman SJ, et al. Among authors: meiler j. PLoS One. 2011;6(6):e20161. doi: 10.1371/journal.pone.0020161. Epub 2011 Jun 24. PLoS One. 2011. PMID: 21731610 Free PMC article.

4

Using RosettaLigand for small molecule docking into comparative models.

Kaufmann KW, Meiler J. Kaufmann KW, et al. Among authors: meiler j. PLoS One. 2012;7(12):e50769. doi: 10.1371/journal.pone.0050769. Epub 2012 Dec 11. PLoS One. 2012. PMID: 23239984 Free PMC article.

5

Towards ligand docking including explicit interface water molecules.

Lemmon G, Meiler J. Lemmon G, et al. Among authors: meiler j. PLoS One. 2013 Jun 28;8(6):e67536. doi: 10.1371/journal.pone.0067536. Print 2013. PLoS One. 2013. PMID: 23840735 Free PMC article.

6

Assessment and challenges of ligand docking into comparative models of G-protein coupled receptors.

Nguyen ED, Norn C, Frimurer TM, Meiler J. Nguyen ED, et al. Among authors: meiler j. PLoS One. 2013 Jul 2;8(7):e67302. doi: 10.1371/journal.pone.0067302. Print 2013. PLoS One. 2013. PMID: 23844000 Free PMC article.

7

Simultaneous prediction of binding free energy and specificity for PDZ domain-peptide interactions.

Crivelli JJ, Lemmon G, Kaufmann KW, Meiler J. Crivelli JJ, et al. Among authors: meiler j. J Comput Aided Mol Des. 2013 Dec;27(12):1051-65. doi: 10.1007/s10822-013-9696-9. Epub 2013 Dec 5. J Comput Aided Mol Des. 2013. PMID: 24305904 Free PMC article.

8

Integrating solid-state NMR and computational modeling to investigate the structure and dynamics of membrane-associated ghrelin.

Vortmeier G, DeLuca SH, Els-Heindl S, Chollet C, Scheidt HA, Beck-Sickinger AG, Meiler J, Huster D. Vortmeier G, et al. Among authors: meiler j. PLoS One. 2015 Mar 24;10(3):e0122444. doi: 10.1371/journal.pone.0122444. eCollection 2015. PLoS One. 2015. PMID: 25803439 Free PMC article.

9

Fully Flexible Docking of Medium Sized Ligand Libraries with RosettaLigand.

DeLuca S, Khar K, Meiler J. DeLuca S, et al. Among authors: meiler j. PLoS One. 2015 Jul 24;10(7):e0132508. doi: 10.1371/journal.pone.0132508. eCollection 2015. PLoS One. 2015. PMID: 26207742 Free PMC article.

10

Rosetta and the Design of Ligand Binding Sites.

Moretti R, Bender BJ, Allison B, Meiler J. Moretti R, et al. Among authors: meiler j. Methods Mol Biol. 2016;1414:47-62. doi: 10.1007/978-1-4939-3569-7_4. Methods Mol Biol. 2016. PMID: 27094285 Free PMC article.

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