Publications by authors named "Gerald H Lushington"

100Publications

Perspective on the COVID-19 Coronavirus Outbreak.

Comb Chem High Throughput Screen 2020 ;23(2):90-91

LiS Consulting Lawrence, KS, United States.

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April 2020

Chemistry, Screening, and the Democracy of Publishing.

Comb Chem High Throughput Screen 2019 ;22(5):288-289

LiS Consulting, Lawrence, KS, United States.

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July 2020

Chemistry, Screening, and the Democracy of Publishing

Comb Chem High Throughput Screen 2019 Jul 15. Epub 2019 Jul 15.

LiS Consulting, Lawrence, KS, United States

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July 2019

Protein Glycation: An Old Villain is Shedding Secrets.

Comb Chem High Throughput Screen 2019 ;22(6):362-369

TheraPeptics, LLC, Lawrence, Kansas, KS 66046, United States.

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August 2020

Preface.

Comb Chem High Throughput Screen 2019 ;22(1)

LiS Consulting, Lawrence, KS, United States.

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January 2019

Editorial: Breaking the Discovery Impasse (Part 2): Deep Learning New Tricks from Old Data.

Comb Chem High Throughput Screen 2018 ;21(4):234-235

LiS Consulting, 2933 Lankford Dr., Lawrence, KS 66046, United States.

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March 2019

Editorial: Breaking the Discovery Impasse (part 1): A Case for Deep Learning.

Comb Chem High Throughput Screen 2018 ;21(1):3-4

LiS Consulting, 2933 Lankford Dr., Lawrence, KS 66046, United States.

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January 2019

Editorial: Great Science: Literature, Logic and a Bit of Modeling Glue.

Comb Chem High Throughput Screen 2017 ;20(1)

LiS Consulting, 2933 Lankford Dr., Lawrence, KS 66046, United States.

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December 2018

Editorial: Beyond Pills and Needles: Delivering on New Promise.

Comb Chem High Throughput Screen 2016 ;19(9):690

LiS Consulting, Lawrence, KS, USA.

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August 2018

Enantiospecific Synthesis and Cytotoxicity Evaluation of Oximidine II Analogues.

ChemMedChem 2016 08 31;11(15):1600-16. Epub 2016 May 31.

Department of Medicinal Chemistry, Institute for Therapeutics Discovery and Development, University of Minnesota, 717 Delaware Street SE, Minneapolis, MN, 55414, USA.

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August 2016

Editorial: Validate and Verify: Keys to Scientific Excellence.

Comb Chem High Throughput Screen 2016 ;19(3):178-9

Section Editor, Chemoinformatics.

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December 2016

Biomedical research: a house of cards?

Future Med Chem 2016 Jan 21;8(1):1-5. Epub 2015 Dec 21.

iDDPartners, 3 Edith Court, Princeton Junction, NJ 08550, USA.

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January 2016

Comparative modeling of proteins.

Methods Mol Biol 2015 ;1215:309-30

LiS Consulting, 2933 Lankford Drive, Lawrence, KS, 66046, USA,

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June 2015

Chemical informatics and the drug discovery knowledge pyramid.

Comb Chem High Throughput Screen 2013 Dec;16(10):764-76

LiS Consulting, 2933 Lankford Dr., Lawrence, KS 66046, USA.

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December 2013

Solution-phase parallel synthesis of a multisubstituted cyclic imidate library.

ACS Comb Sci 2013 May 4;15(5):247-54. Epub 2013 Apr 4.

Department of Chemistry, Iowa State University , Ames, Iowa 50011, United States.

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May 2013

Exploring chemical diversity via a modular reaction pairing strategy.

Beilstein J Org Chem 2012 15;8:1293-302. Epub 2012 Aug 15.

Department of Chemistry, The University of Kansas, 1251 Wescoe Hall Drive, Lawrence, KS 66045-7582, USA.

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October 2012

Differentiating between models of epothilone binding to microtubules using tubulin mutagenesis, cytotoxicity, and molecular modeling.

ChemMedChem 2012 Sep 16;7(9):1580-6. Epub 2012 Jul 16.

Department of Molecular Biosciences, University of Kansas, Lawrence, KS 66045-7534, USA.

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September 2012

Solution-phase synthesis of a highly substituted furan library.

ACS Comb Sci 2012 Jul 11;14(7):403-14. Epub 2012 Jun 11.

Department of Chemistry, Iowa State University , Ames, Iowa 50011, United States.

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July 2012

Synthesis of an Isoindoline-Annulated, Tricyclic Sultam Library via Microwave-Assisted, Continuous-Flow Organic Synthesis (MACOS).

Synthesis (Stuttg) 2012 ;44(16)

Department of Chemistry, York University, 4700 Keele Street, Toronto, ON, M3J 1P3, Canada, Fax +1(416)7365936 ; The University of Kansas Center for Chemical Methodologies and Library Development (KU-CMLD), Del Shankel Structural Biology Center, 2034 Becker Drive, Lawrence, KS 66047-3761, USA, Fax +1(785)8645396.

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January 2012

Targeting of histone acetyltransferase p300 by cyclopentenone prostaglandin Δ(12)-PGJ(2) through covalent binding to Cys(1438).

Chem Res Toxicol 2012 Feb 16;25(2):337-47. Epub 2011 Dec 16.

Center for Molecular Toxicology and Carcinogenesis and Center for Molecular Immunology and Infectious Disease, Department of Veterinary and Biomedical Sciences, The Pennsylvania State University , University Park, Pennsylvania 16802, United States.

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February 2012

Inhibitors of membranous adenylyl cyclases.

Trends Pharmacol Sci 2012 Feb 17;33(2):64-78. Epub 2011 Nov 17.

Institute of Pharmacology, Medical School of Hannover, Carl-Neuberg-Strasse 1, D-30625 Hannover, Germany.

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February 2012

The BioAssay network and its implications to future therapeutic discovery.

BMC Bioinformatics 2011 27;12 Suppl 5:S1. Epub 2011 Jul 27.

Center for Bioinformatics, University of Kansas, Lawrence, KS 66045, USA.

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December 2011

A modular reaction pairing approach to the diversity-oriented synthesis of fused- and bridged-polycyclic sultams.

Org Lett 2011 Oct 7;13(19):5148-51. Epub 2011 Sep 7.

Department of Chemistry, University of Kansas, 1251 Wescoe Hall Drive, Lawrence, Kansas 66045, USA.

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October 2011

A filter-based feature selection approach for identifying potential biomarkers for lung cancer.

J Clin Bioinforma 2011 Mar 21;1(1):11. Epub 2011 Mar 21.

Bioinformatics Core Facility, University of Kansas, Lawrence, KS 66046, USA.

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March 2011

Application of 6,7-indole aryne cycloaddition and Pd(0)-catalyzed Suzuki-Miyaura and Buchwald-Hartwig cross-coupling reactions for the preparation of annulated indole libraries.

ACS Comb Sci 2011 Sep 30;13(5):443-8. Epub 2011 Jun 30.

Center of Excellence in Chemical Methodologies and Library Development, University of Kansas, Lawrence, 66047, United States.

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September 2011

The 3q29 microdeletion syndrome: report of three new unrelated patients and in silico "RNA binding" analysis of the 3q29 region.

Am J Med Genet A 2011 Jul 27;155A(7):1654-60. Epub 2011 May 27.

Department of Pediatrics, University of Kansas Medical Center, Kansas City, USA.

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July 2011

GlycomicsDB - A Data Integration Platform for Glycans and their Strucutres.

Open Med Inform J 2011 19;5:9-16. Epub 2011 Apr 19.

Bioinformatics Core Facility, University of Kansas, Lawrence, KS 66047, USA.

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July 2011

Characterizing the diversity and biological relevance of the MLPCN assay manifold and screening set.

J Chem Inf Model 2011 Jun 13;51(6):1205-15. Epub 2011 May 13.

Center for Bioinformatics, University of Kansas, Lawrence, Kansas 66045, United States.

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June 2011

Solution-phase parallel synthesis of a diverse library of 1,2-dihydroisoquinolines.

ACS Comb Sci 2011 May 16;13(3):265-71. Epub 2011 Mar 16.

Department of Chemistry, Iowa State University, Ames, Iowa 50011, United States.

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May 2011

1,3-allylic strain as a strategic diversification element for constructing libraries of substituted 2-arylpiperidines.

Angew Chem Int Ed Engl 2011 Mar 23;50(12):2734-7. Epub 2011 Feb 23.

Chemical Methodologies and Library Development Center, University of Kansas, Delbert M. Shankel Structural Biology Center, West Campus, Lawrence, 66047, USA.

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March 2011

Automated synthesis of a 184-member library of thiadiazepan-1,1-dioxide-4-ones.

ACS Comb Sci 2011 May 10;13(3):244-50. Epub 2011 Feb 10.

Center for Chemical Methodologies and Library Development at the University of Kansas, Delbert M. Shankel Structural Biology Center, Lawrence, Kansas 66047, United States.

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May 2011

S(N)Ar-based, facile synthesis of a library of benzothiaoxazepine-1,1'-dioxides.

J Comb Chem 2010 Nov 29;12(6):850-4. Epub 2010 Sep 29.

Department of Chemistry, University of Kansas, 1251 Wescoe Hall Drive, Lawrence, Kansas 66045-7582, USA.

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November 2010

Uptake, distribution and diffusivity of reactive fluorophores in cells: implications toward target identification.

Mol Pharm 2010 Aug;7(4):1301-10

Department of Medicinal Chemistry and Pharmaceutical Chemistry, Molecular Graphics and Modeling Laboratory, and Specialized Chemistry Center, University of Kansas, Lawrence, Kansas, USA.

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August 2010

Crystal structure of histamine dehydrogenase from Nocardioides simplex.

J Biol Chem 2010 Aug 10;285(33):25782-91. Epub 2010 Jun 10.

Department of Chemistry, The University of Kansas, Lawrence, Kansas 66045, USA.

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August 2010

Application of kernel functions for accurate similarity search in large chemical databases.

BMC Bioinformatics 2010 Apr 29;11 Suppl 3:S8. Epub 2010 Apr 29.

School of Electrical Engineering and Computer Science University of Kansas, Lawrence, 66045, USA.

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April 2010

Reagent based DOS: a "Click, Click, Cyclize" strategy to probe chemical space.

Org Biomol Chem 2010 May 16;8(9):2198-203. Epub 2010 Mar 16.

Department of Chemistry, University of Kansas, 1251 Wescoe Hall Drive, Lawrence, KS 66045-7582, USA.

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May 2010

Temperature dependent 2nd derivative absorbance spectroscopy of aromatic amino acids as a probe of protein dynamics.

Protein Sci 2009 Dec;18(12):2603-14

Department of Pharmaceutical Chemistry, University of Kansas, Lawrence, Kansas 66047, USA.

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December 2009

The C1 homodimer of adenylyl cyclase binds nucleotides with high affinity but possesses exceedingly low catalytic activity.

Neurosci Lett 2009 Dec 27;467(1):1-5. Epub 2009 Sep 27.

Department of Molecular Biosciences, University of Kansas, Lawrence, KS 66045, USA.

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December 2009

Solution-phase parallel synthesis of a multi-substituted benzo[b]thiophene library.

J Comb Chem 2009 Sep-Oct;11(5):900-6

Department of Chemistry, Iowa State University, Ames, Iowa 50011, USA.

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December 2009

Identification, Ki determination and CoMFA analysis of nuclear receptor ligands as competitive inhibitors of OATP1B1-mediated estradiol-17beta-glucuronide transport.

Pharmacol Res 2009 Jul 17;60(1):50-6. Epub 2009 Mar 17.

Department of Pharmacology, Toxicology and Therapeutics, The University of Kansas Medical Center, 3901 Rainbow Blvd., Kansas City, KS 66160, USA.

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July 2009

Mechanism-based inhibitors of serine proteases with high selectivity through optimization of S' subsite binding.

Bioorg Med Chem 2009 May 12;17(10):3536-42. Epub 2009 Apr 12.

Department of Chemistry, Wichita State University, Wichita, KS 67260, USA.

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May 2009

GOAPhAR: An Integrative Discovery Tool for Annotation, Pathway Analysis.

Open Bioinforma J 2009 Jan;3:26-30

School of Computing and Engineering, University of Missouri-Kansas City, MO 64110, USA.

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January 2009

G-Hash: Towards Fast Kernel-based Similarity Search in Large Graph Databases.

Adv Database Technol 2009 ;360:472-480

Department of Electrical Engineering and Computer Science, University of Kansas, Lawrence, KS, USA.

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January 2009

Differences in paclitaxel and docetaxel interactions with tubulin detected by mutagenesis of yeast tubulin.

ChemMedChem 2008 Dec;3(12):1844-7

Department of Molecular Biosciences, University of Kansas, Lawrence, Kansas 66045-7534, USA.

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December 2008

Parallel synthesis of a multi-substituted benzo[b]furan library.

J Comb Chem 2008 Nov-Dec;10(6):941-7. Epub 2008 Oct 21.

Department of Chemistry, Iowa State University, Ames, Iowa 50011, USA.

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December 2008

Design and synthesis of medium-ring lactam libraries inspired by octalactin a. A convergent-divergent approach.

J Comb Chem 2008 Sep-Oct;10(5):628-31. Epub 2008 Aug 12.

Department of Chemistry, University of Missouri, 205 Spencer Chemical Laboratories, 5100 Rockhill Road, Kansas City, Missouri 64110, USA.

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November 2008

Solution phase synthesis of a diverse library of highly substituted isoxazoles.

J Comb Chem 2008 Sep-Oct;10(5):658-63. Epub 2008 Aug 1.

Department of Chemistry, Iowa State University, Ames, Iowa 50011, USA.

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November 2008

The paclitaxel site in tubulin probed by site-directed mutagenesis of Saccharomyces cerevisiae beta-tubulin.

FEBS Lett 2008 Jul 18;582(16):2467-70. Epub 2008 Jun 18.

Department of Molecular Biosciences, University of Kansas, Lawrence, KS 66045-7534, USA.

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July 2008

Comparative modeling of proteins.

Methods Mol Biol 2008 ;443:199-212

Molecular Graphics and Modeling Laboratory, University of Kansas, Lawrence, KS.

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June 2008

Feature selection in validating mass spectrometry database search results.

J Bioinform Comput Biol 2008 Feb;6(1):223-40

Bioinformatics Core Facility & Information and Telecommunication Technology Center, University of Kansas, 2099 Constant Dr., Lawrence, Kansas 66047, USA.

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February 2008

Novel Algorithms for the Identification of Biologically Informative Chemical Diversity Metrics.

Curr Comput Aided Drug Des 2008 Mar;4(1):23-34

Center of Excellence for Chemical Methodology and Library Development, The University of Kansas, Lawrence, KS 66045, USA.

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March 2008

Activation and inhibition of adenylyl cyclase isoforms by forskolin analogs.

J Pharmacol Exp Ther 2008 Apr 9;325(1):27-36. Epub 2008 Jan 9.

Department of Pharmacology and Toxicology, University of Regensburg, Universitätsstrasse 31, D-93053 Regensburg, Germany.

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April 2008

Whither combine? New opportunities for receptor-based QSAR.

Curr Med Chem 2007 ;14(17):1863-77

Molecular Graphics and Modeling Laboratory, University of Kansas, 1251 Wescoe Hall Dr., Lawrence, KS 66045, USA.

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August 2007

Structure of the human lung cytochrome P450 2A13.

J Biol Chem 2007 Jun 11;282(23):17306-13. Epub 2007 Apr 11.

Department of Medicinal Chemistry, University of Kansas, Lawrence, Kansas 66045, USA.

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June 2007

One-step synthesis of oxazoline and dihydrooxazine libraries.

J Comb Chem 2007 May-Jun;9(3):473-6. Epub 2007 Mar 29.

Department of Medicinal Chemistry, University of Kansas, 1251 Wescoe Hall Drive, Lawrence, Kansas 66045, USA.

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July 2007

A conformational transition in the adenylyl cyclase catalytic site yields different binding modes for ribosyl-modified and unmodified nucleotide inhibitors.

Bioorg Med Chem 2007 Apr 11;15(8):2993-3002. Epub 2007 Feb 11.

Molecular Graphics and Modeling Laboratory, University of Kansas, Lawrence, KS 66045, USA.

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April 2007

Solution-phase parallel synthesis of a library of delta(2)-pyrazolines.

J Comb Chem 2007 Jan-Feb;9(1):20-8

University of Kansas Center of Excellence in Chemical Methodology and Library Development, Lawrence, Kansas 66047, USA.

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March 2007

Stability and electronic properties of nitrogen nanoneedles and nanotubes.

J Chem Inf Model 2006 Sep-Oct;46(5):1965-71

Scientific Modeling and Simulation Laboratory (SMSL), Department of Chemistry and Department of Physics and Physical Oceanography, Memorial University of Newfoundland, St. John's, Newfoundland A1B 3X7, Canada.

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November 2006

Mechanistic insight into acetylcholinesterase inhibition and acute toxicity of organophosphorus compounds: a molecular modeling study.

Chem Res Toxicol 2006 Feb;19(2):209-16

Molecular Graphics and Modeling Lab, University of Kansas, Lawrence, Kansas 66045, USA.

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February 2006