Kuhn LA - Search Results

1

Epilogue to the Gerald Maggiora Festschrift: a tribute to an exemplary mentor, colleague, collaborator, and innovator.

Shanmugasundaram V, Bajorath J, Christoffersen RE, Petke JD, Howe WJ, Johnson MA, Agrafiotis DK, Lee P, Kuhn LA, Goodwin JT, Holloway MK, Doman TN, Walters WP, Schreyer S, Medina-Franco JL, Martinez-Mayorga K, Restifo LL. Shanmugasundaram V, et al. Among authors: kuhn la. J Comput Aided Mol Des. 2022 Sep;36(9):623-638. doi: 10.1007/s10822-022-00473-2. Epub 2022 Sep 17. J Comput Aided Mol Des. 2022. PMID: 36114380

2

Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, and virtual screening.

Zavodszky MI, Sanschagrin PC, Korde RS, Kuhn LA. Zavodszky MI, et al. Among authors: kuhn la. J Comput Aided Mol Des. 2002 Dec;16(12):883-902. doi: 10.1023/a:1023866311551. J Comput Aided Mol Des. 2002. PMID: 12825621

3

Discovering new classes of Brugia malayi asparaginyl-tRNA synthetase inhibitors and relating specificity to conformational change.

Sukuru SC, Crepin T, Milev Y, Marsh LC, Hill JB, Anderson RJ, Morris JC, Rohatgi A, O'Mahony G, Grøtli M, Danel F, Page MG, Härtlein M, Cusack S, Kron MA, Kuhn LA. Sukuru SC, et al. Among authors: kuhn la. J Comput Aided Mol Des. 2006 Mar;20(3):159-78. doi: 10.1007/s10822-006-9043-5. Epub 2006 Apr 28. J Comput Aided Mol Des. 2006. PMID: 16645791

4

Enabling the hypothesis-driven prioritization of ligand candidates in big databases: Screenlamp and its application to GPCR inhibitor discovery for invasive species control.

Raschka S, Scott AM, Liu N, Gunturu S, Huertas M, Li W, Kuhn LA. Raschka S, et al. Among authors: kuhn la. J Comput Aided Mol Des. 2018 Mar;32(3):415-433. doi: 10.1007/s10822-018-0100-7. Epub 2018 Jan 30. J Comput Aided Mol Des. 2018. PMID: 29383467

5

Protein-ligand interfaces are polarized: discovery of a strong trend for intermolecular hydrogen bonds to favor donors on the protein side with implications for predicting and designing ligand complexes.

Raschka S, Wolf AJ, Bemister-Buffington J, Kuhn LA. Raschka S, et al. Among authors: kuhn la. J Comput Aided Mol Des. 2018 Apr;32(4):511-528. doi: 10.1007/s10822-018-0105-2. Epub 2018 Feb 12. J Comput Aided Mol Des. 2018. PMID: 29435780

6

The role of structure in antibody cross-reactivity between peptides and folded proteins.

Craig L, Sanschagrin PC, Rozek A, Lackie S, Kuhn LA, Scott JK. Craig L, et al. Among authors: kuhn la. J Mol Biol. 1998 Aug 7;281(1):183-201. doi: 10.1006/jmbi.1998.1907. J Mol Biol. 1998. PMID: 9680484

7

The accessory subunit of mtDNA polymerase shares structural homology with aminoacyl-tRNA synthetases: implications for a dual role as a primer recognition factor and processivity clamp.

Fan L, Sanschagrin PC, Kaguni LS, Kuhn LA. Fan L, et al. Among authors: kuhn la. Proc Natl Acad Sci U S A. 1999 Aug 17;96(17):9527-32. doi: 10.1073/pnas.96.17.9527. Proc Natl Acad Sci U S A. 1999. PMID: 10449726 Free PMC article.

8

Sampling protein conformations and pathways.

Lei M, Zavodszky MI, Kuhn LA, Thorpe MF. Lei M, et al. Among authors: kuhn la. J Comput Chem. 2004 Jul 15;25(9):1133-48. doi: 10.1002/jcc.20041. J Comput Chem. 2004. PMID: 15116357

9

Structural basis for the enantiospecificities of R- and S-specific phenoxypropionate/alpha-ketoglutarate dioxygenases.

Müller TA, Zavodszky MI, Feig M, Kuhn LA, Hausinger RP. Müller TA, et al. Among authors: kuhn la. Protein Sci. 2006 Jun;15(6):1356-68. doi: 10.1110/ps.052059406. Protein Sci. 2006. PMID: 16731970 Free PMC article.

10

Using structural analysis to generate parasite-selective monoclonal antibodies.

Kron MA, Cichanowicz S, Hendrick A, Liu A, Leykam J, Kuhn LA. Kron MA, et al. Among authors: kuhn la. Protein Sci. 2008 Jun;17(6):983-9. doi: 10.1110/ps.073429808. Epub 2008 Apr 14. Protein Sci. 2008. PMID: 18411421 Free PMC article.

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