Glen Eugene Kellogg - Publications

Affiliations: 
Virginia Commonwealth University, Richmond, VA, United States 
Area:
Pharmaceutical Chemistry, Biochemistry, Molecular Biology
Website:
https://app.pharmacy.vcu.edu/gkellogg

139 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Catalano C, Al Mughram MH, Guo Y, Kellogg GE. 3D interaction homology: Hydropathic interaction environments of serine and cysteine are strikingly different and their roles adapt in membrane proteins. Current Research in Structural Biology. 3: 239-256. PMID 34693344 DOI: 10.1016/j.crstbi.2021.09.002  1
2021 Al Mughram MH, Catalano C, Bowry JP, Safo MK, Scarsdale JN, Kellogg GE. 3D Interaction Homology: Hydropathic Analyses of the "π-Cation" and "π-π" Interaction Motifs in Phenylalanine, Tyrosine, and Tryptophan Residues. Journal of Chemical Information and Modeling. PMID 34101460 DOI: 10.1021/acs.jcim.1c00235  1
2021 Saathoff J, Green J, Jiang Y, Xu Y, Kellogg GE, Zhang S. Structural understanding of 5-(4-hydroxy-phenyl)-N-(2-(5-methoxy-1H-indol-3-yl)-ethyl)-3-oxopentanamide as a neuroprotectant for Alzheimer's disease. Bioorganic & Medicinal Chemistry Letters. 128081. PMID 33964442 DOI: 10.1016/j.bmcl.2021.128081  1
2021 Zhang M, Hoyle RG, Ma Z, Sun B, Cai W, Cai H, Xie N, Zhang Y, Hou J, Liu X, Chen D, Kellogg GE, Harada H, Sun Y, Wang C, et al. FOSL1 Promotes Metastasis of Head and Neck Squamous Cell Carcinoma Through Super-Enhancer-Driven Transcription Program. Molecular Therapy : the Journal of the American Society of Gene Therapy. PMID 33794365 DOI: 10.1016/j.ymthe.2021.03.024  1
2020 Green JC, Jiang Y, He L, Xu Y, Dong S, Keoprasert T, Nelson C, Oh U, Lesnefsky EJ, Kellogg GE, Chen Q, Zhang S. Characterization and discovery of a selective small molecule modulator of mitochondrial complex I targeting a unique binding site. Journal of Medicinal Chemistry. PMID 32945676 DOI: 10.1021/Acs.Jmedchem.0C01021  1
2020 Tripathi A, Martinez E, Obaidullah AJ, Lete MG, Lönnfors M, Khan D, Soni KG, Mousley CJ, Kellogg GE, Bankaitis VA. Correction: Functional diversification of the chemical landscapes of yeast Sec14-like phosphatidylinositol transfer protein lipid-binding cavities. The Journal of Biological Chemistry. 295: 1368. PMID 32005645 DOI: 10.1074/jbc.AAC120.012555  1
2019 Perry CK, Casey AB, Felsing DE, Vemula R, Zaka M, Herrington NB, Cui M, Kellogg GE, Canal CE, Booth RG. Synthesis of novel 5-substituted-2-aminotetralin analogs: 5-HT and 5-HT G protein-coupled receptor affinity, 3D-QSAR and molecular modeling. Bioorganic & Medicinal Chemistry. 115262. PMID 31882369 DOI: 10.1016/J.Bmc.2019.115262  0.01
2019 Tripathi A, Martinez E, Obaidullah AJ, Lete MG, Lönnfors M, Khan D, Soni KG, Mousley CJ, Kellogg GE, Bankaitis VA. Functional Diversification of the Chemical Landscapes of Yeast Sec14-like Phosphatidylinositol Transfer Protein Lipid-Binding Cavities. The Journal of Biological Chemistry. PMID 31690622 DOI: 10.1074/Jbc.Ra119.011153  1
2019 Ahmed MH, Catalano C, Portillo SC, Safo MK, Neel Scarsdale J, Kellogg GE. 3D interaction homology: The hydropathic interaction environments of even alanine are diverse and provide novel structural insight. Journal of Structural Biology. PMID 31112746 DOI: 10.1016/J.Jsb.2019.05.007  1
2018 Obaidullah AJ, Ahmed MH, Kitten T, Kellogg GE. Inhibiting Pneumococcal Surface Antigen A (PsaA) with Small Molecules Discovered Through Virtual Screening: Steps Toward Validating A Potential Target for Streptococcus pneumoniae. Chemistry & Biodiversity. PMID 30221472 DOI: 10.1002/Cbdv.201800234  1
2018 Wang H, Kellogg GE, Xu P, Zhang Y. Exploring the binding mechanisms of diaminopimelic acid analogs to meso-diaminopimelate dehydrogenase by molecular modeling. Journal of Molecular Graphics & Modelling. 83: 100-111. PMID 29885593 DOI: 10.1016/J.Jmgm.2018.05.011  1
2017 Ma H, Stone VN, Wang H, Kellogg GE, Xu P, Zhang Y. Diaminopimelic acid (DAP) analogs bearing isoxazoline moiety as selective inhibitors against meso-diaminopimelate dehydrogenase (m-Ddh) from Porphyromonas gingivalis. Bioorganic & Medicinal Chemistry Letters. PMID 28668193 DOI: 10.1016/J.Bmcl.2017.06.056  1
2017 Spyrakis F, Ahmed MH, Bayden AS, Cozzini P, Mozzarelli A, Kellogg GE. The Roles of Water in the Protein Matrix: A Largely Untapped Resource for Drug Discovery. Journal of Medicinal Chemistry. PMID 28475332 DOI: 10.1021/Acs.Jmedchem.7B00057  1
2017 Gupton JT, Yeudall S, Telang N, Hoerrner M, Huff E, Crawford E, Lounsbury K, Kimmel M, Curry W, Harrison A, Juekun W, Shimozono A, Ortolani J, Lescalleet K, Patteson J, ... ... Kellogg GE, et al. Ortho group activation of a bromopyrrole ester in Suzuki-Miyaura cross-coupling reactions: Application to the synthesis of new microtubule depolymerizing agents with potent cytotoxic activities. Bioorganic & Medicinal Chemistry. PMID 28433513 DOI: 10.1016/J.Bmc.2017.04.012  1
2016 Korwar S, Morris BL, Parikh HI, Coover RA, Doughty TW, Love IM, Hilbert BJ, Royer WE, Kellogg GE, Grossman SR, Ellis KC. Design, synthesis, and biological evaluation of substrate-competitive inhibitors of C-terminal Binding Protein (CtBP). Bioorganic & Medicinal Chemistry. PMID 27156192 DOI: 10.1016/J.Bmc.2016.04.037  1
2016 Ghatge MS, Ahmed MH, Omar AS, Pagare PP, Rosef S, Kellogg GE, Abdulmalik O, Safo MK. Crystal structure of carbonmonoxy sickle hemoglobin in R-state conformation. Journal of Structural Biology. 194: 446-50. PMID 27085422 DOI: 10.1016/J.Jsb.2016.04.003  1
2016 Spyrakis F, Cozzini P, Eugene Kellogg G. Applying Computational Scoring Functions to Assess Biomolecular Interactions in Food Science: Applications to the Estrogen Receptors Nuclear Receptor Research. 3. DOI: 10.11131/2016/101202  0.01
2016 Ghatge MS, Ahmed MH, Omar ASM, Pagare PP, Rosef S, Kellogg GE, Abdulmalik O, Safo MK. Crystal structure of carbonmonoxy sickle hemoglobin in R-state conformation Journal of Structural Biology. 194: 446-450. DOI: 10.1016/j.jsb.2016.04.003  1
2015 Rohena CC, Telang N, Da C, Risinger A, Sikorski JA, Kellogg GE, Gupton JT, Mooberry SL. Biological Characterization of an Improved Pyrrole-Based Colchicine Site Agent Identified Through Structure-based Design. Molecular Pharmacology. PMID 26655304 DOI: 10.1124/Mol.115.101592  1
2015 Stone VN, Parikh HI, El-Rami F, Ge X, Chen W, Zhang Y, Kellogg GE, Xu P. Identification of Small-Molecule Inhibitors against Meso-2, 6-Diaminopimelate Dehydrogenase from Porphyromonas gingivalis. Plos One. 10: e0141126. PMID 26544875 DOI: 10.1371/Journal.Pone.0141126  1
2015 Ahmed MH, Koparde VN, Safo MK, Neel Scarsdale J, Kellogg GE. 3d interaction homology: The structurally known rotamers of tyrosine derive from a surprisingly limited set of information-rich hydropathic interaction environments described by maps. Proteins. 83: 1118-36. PMID 25900573 DOI: 10.1002/Prot.24813  1
2015 Yuan Y, Zaidi SA, Stevens DL, Scoggins KL, Mosier PD, Kellogg GE, Dewey WL, Selley DE, Zhang Y. Design, syntheses, and pharmacological characterization of 17-cyclopropylmethyl-3,14β-dihydroxy-4,5α-epoxy-6α-(isoquinoline-3'-carboxamido)morphinan analogues as opioid receptor ligands. Bioorganic & Medicinal Chemistry. 23: 1701-15. PMID 25783191 DOI: 10.1016/J.Bmc.2015.02.055  1
2015 Remesh SG, Ghatge MS, Ahmed MH, Musayev FN, Gandhi A, Chowdhury N, di Salvo ML, Kellogg GE, Contestabile R, Schirch V, Safo MK. Molecular basis of E. coli L-threonine aldolase catalytic inactivation at low pH. Biochimica Et Biophysica Acta. 1854: 278-83. PMID 25560296 DOI: 10.1016/J.Bbapap.2014.12.023  1
2015 Alam Z, Al-Mahdi Z, Zhu Y, McKee Z, Parris DS, Parikh HI, Kellogg GE, Kuchta A, McVoy MA. Anti-cytomegalovirus activity of the anthraquinone atanyl blue PRL. Antiviral Research. 114: 86-95. PMID 25499125 DOI: 10.1016/J.Antiviral.2014.12.003  1
2015 Sule AD, Tokarz M, Ahmed M, Kellogg GE, Valerie KC. Abstract 3325: A protein phosphatase 2A-ATM complex regulates the DNA damage response and pro-survival signaling Cancer Research. 75: 3325-3325. DOI: 10.1158/1538-7445.Am2015-3325  0.01
2014 Spyrakis F, Cellini B, Bruno S, Benedetti P, Carosati E, Cruciani G, Micheli F, Felici A, Cozzini P, Kellogg GE, Voltattorni CB, Mozzarelli A. Targeting cystalysin, a virulence factor of treponema denticola-supported periodontitis. Chemmedchem. 9: 1501-11. PMID 24616267 DOI: 10.1002/Cmdc.201300527  1
2014 Ahmed MH, Kellogg GE, Selley DE, Safo MK, Zhang Y. Predicting the molecular interactions of CRIP1a-cannabinoid 1 receptor with integrated molecular modeling approaches. Bioorganic & Medicinal Chemistry Letters. 24: 1158-65. PMID 24461351 DOI: 10.1016/J.Bmcl.2013.12.119  1
2014 Parikh HI, Kellogg GE. Intuitive, but not simple: including explicit water molecules in protein-protein docking simulations improves model quality. Proteins. 82: 916-32. PMID 24214407 DOI: 10.1002/Prot.24466  1
2013 Peng J, Risinger AL, Da C, Fest GA, Kellogg GE, Mooberry SL. Structure-activity relationships of retro-dihydrochalcones isolated from Tacca sp. Journal of Natural Products. 76: 2189-94. PMID 24303844 DOI: 10.1021/Np4005085  1
2013 Spyrakis F, Singh R, Cozzini P, Campanini B, Salsi E, Felici P, Raboni S, Benedetti P, Cruciani G, Kellogg GE, Cook PF, Mozzarelli A. Isozyme-specific ligands for O-acetylserine sulfhydrylase, a novel antibiotic target. Plos One. 8: e77558. PMID 24167577 DOI: 10.1371/Journal.Pone.0077558  1
2013 Ahmed MH, Habtemariam M, Safo MK, Scarsdale JN, Spyrakis F, Cozzini P, Mozzarelli A, Kellogg GE. Unintended consequences? Water molecules at biological and crystallographic protein-protein interfaces. Computational Biology and Chemistry. 47: 126-41. PMID 24076743 DOI: 10.1016/J.Compbiolchem.2013.08.009  1
2013 Zaidi SA, Arnatt CK, He H, Selley DE, Mosier PD, Kellogg GE, Zhang Y. Binding mode characterization of 6α- and 6β-N-heterocyclic substituted naltrexamine derivatives via docking in opioid receptor crystal structures and site-directed mutagenesis studies: Application of the 'message-address' concept in development of mu opioid receptor selective antagonists Bioorganic and Medicinal Chemistry. 21: 6405-6413. PMID 24055076 DOI: 10.1016/J.Bmc.2013.08.042  1
2013 Da C, Mooberry SL, Gupton JT, Kellogg GE. How to deal with low-resolution target structures: using SAR, ensemble docking, hydropathic analysis, and 3D-QSAR to definitively map the αβ-tubulin colchicine site. Journal of Medicinal Chemistry. 56: 7382-95. PMID 23961916 DOI: 10.1021/Jm400954H  1
2013 Da C, Telang N, Hall K, Kluball E, Barelli P, Finzel K, Jia X, Gupton JT, Mooberry SL, Kellogg GE. Developing novel C-4 analogues of pyrrole-based antitubulin agents: weak but critical hydrogen bonding in the colchicine site. Medchemcomm. 4: 417-421. PMID 23457660 DOI: 10.1039/C2Md20320K  1
2013 Liu K, Guo TL, Hait NC, Allegood J, Parikh HI, Xu W, Kellogg GE, Grant S, Spiegel S, Zhang S. Biological characterization of 3-(2-amino-ethyl)-5-[3-(4-butoxyl-phenyl)-propylidene]-thiazolidine-2,4-dione (K145) as a selective sphingosine kinase-2 inhibitor and anticancer agent. Plos One. 8: e56471. PMID 23437140 DOI: 10.1371/Journal.Pone.0056471  1
2013 Derewenda U, Artamonov M, Szukalska G, Utepbergenov D, Olekhnovich N, Parikh HI, Kellogg GE, Somlyo AV, Derewenda ZS. Identification of quercitrin as an inhibitor of the p90 S6 ribosomal kinase (RSK): structure of its complex with the N-terminal domain of RSK2 at 1.8 Ã… resolution. Acta Crystallographica. Section D, Biological Crystallography. 69: 266-75. PMID 23385462 DOI: 10.1107/S0907444912045520  1
2013 Spyrakis F, Dellafiora L, Da C, Kellogg GE, Cozzini P. Correct protonation states and relevant waters = better computational simulations? Current Pharmaceutical Design. 19: 4291-309. PMID 23170888 DOI: 10.2174/1381612811319230011  1
2013 Spyrakis F, Felici P, Bayden AS, Salsi E, Miggiano R, Kellogg GE, Cozzini P, Cook PF, Mozzarelli A, Campanini B. Fine tuning of the active site modulates specificity in the interaction of O-acetylserine sulfhydrylase isozymes with serine acetyltransferase. Biochimica Et Biophysica Acta. 1834: 169-81. PMID 23000429 DOI: 10.1016/J.Bbapap.2012.09.009  1
2012 Mosier PD, Krishnasamy C, Kellogg GE, Desai UR. On the specificity of heparin/heparan sulfate binding to proteins. Anion-binding sites on antithrombin and thrombin are fundamentally different. Plos One. 7: e48632. PMID 23152789 DOI: 10.1371/Journal.Pone.0048632  1
2012 Da C, Telang N, Barelli P, Jia X, Gupton JT, Mooberry SL, Kellogg GE. Pyrrole-Based Antitubulin Agents: Two Distinct Binding Modalities are Predicted for C-2 Analogs in the Colchicine Site. Acs Medicinal Chemistry Letters. 3: 53-57. PMID 22611477 DOI: 10.1021/Ml200217U  1
2012 Sarkar A, Anderson KC, Kellogg GE. Computational analysis of structure-based interactions and ligand properties can predict efflux effects on antibiotics. European Journal of Medicinal Chemistry. 52: 98-110. PMID 22483632 DOI: 10.1016/J.Ejmech.2012.03.008  1
2012 Liu K, Rao W, Parikh H, Li Q, Guo TL, Grant S, Kellogg GE, Zhang S. 3,5-Disubstituted-thiazolidine-2,4-dione analogs as anticancer agents: design, synthesis and biological characterization. European Journal of Medicinal Chemistry. 47: 125-37. PMID 22074985 DOI: 10.1016/J.Ejmech.2011.10.031  1
2012 Kuchta AL, Parikh H, Zhu Y, Kellogg GE, Parris DS, McVoy MA. Structural modelling and mutagenesis of human cytomegalovirus alkaline nuclease UL98. The Journal of General Virology. 93: 130-8. PMID 21900421 DOI: 10.1099/Vir.0.034876-0  1
2011 Ahmed MH, Spyrakis F, Cozzini P, Tripathi PK, Mozzarelli A, Scarsdale JN, Safo MA, Kellogg GE. Bound water at protein-protein interfaces: partners, roles and hydrophobic bubbles as a conserved motif. Plos One. 6: e24712. PMID 21961043 DOI: 10.1371/Journal.Pone.0024712  1
2011 Zhang F, Zaidi S, Haney KM, Kellogg GE, Zhang Y. Regio- and stereoselective syntheses of the natural product CCR5 antagonist anibamine and its three olefin isomers. The Journal of Organic Chemistry. 76: 7945-52. PMID 21875065 DOI: 10.1021/Jo2013669  1
2011 Farzan SF, Palermo LM, Yokoyama CC, Orefice G, Fornabaio M, Sarkar A, Kellogg GE, Greengard O, Porotto M, Moscona A. Premature activation of the paramyxovirus fusion protein before target cell attachment with corruption of the viral fusion machinery Journal of Biological Chemistry. 286: 37945-37954. PMID 21799008 DOI: 10.1074/Jbc.M111.256248  1
2011 Tripathi A, Surface JA, Kellogg GE. Using active site mapping and receptor-based pharmacophore tools: prelude to docking and de novo/fragment-based ligand design. Methods in Molecular Biology (Clifton, N.J.). 716: 39-54. PMID 21318899 DOI: 10.1007/978-1-61779-012-6_3  1
2011 Koparde VN, Scarsdale JN, Kellogg GE. Applying an empirical hydropathic forcefield in refinement may improve low-resolution protein X-ray crystal structures. Plos One. 6: e15920. PMID 21246043 DOI: 10.1371/Journal.Pone.0015920  1
2011 Spyrakis F, Cozzini P, Sarkar A, Kellogg GE. Applying induced fit in drug discovery: square pegs and round holes? Current Topics in Medicinal Chemistry. 11: 131-2. PMID 21244358 DOI: 10.2174/156802611794863553  1
2011 Bayden AS, Yakovlev VA, Graves PR, Mikkelsen RB, Kellogg GE. Factors influencing protein tyrosine nitration--structure-based predictive models. Free Radical Biology & Medicine. 50: 749-62. PMID 21172423 DOI: 10.1016/J.Freeradbiomed.2010.12.016  1
2010 Yakovlev VA, Bayden AS, Graves PR, Kellogg GE, Mikkelsen RB. Nitration of the tumor suppressor protein p53 at tyrosine 327 promotes p53 oligomerization and activation. Biochemistry. 49: 5331-9. PMID 20499882 DOI: 10.1021/Bi100564W  1
2010 Sarkar A, Kellogg GE. Hydrophobicity--shake flasks, protein folding and drug discovery. Current Topics in Medicinal Chemistry. 10: 67-83. PMID 19929828 DOI: 10.2174/156802610790232233  1
2010 Salsi E, Bayden AS, Spyrakis F, Amadasi A, Campanini B, Bettati S, Dodatko T, Cozzini P, Kellogg GE, Cook PF, Roderick SL, Mozzarelli A. Design of O-acetylserine sulfhydrylase inhibitors by mimicking nature. Journal of Medicinal Chemistry. 53: 345-56. PMID 19928859 DOI: 10.1021/Jm901325E  1
2010 Tripathi A, Kellogg GE. A novel and efficient tool for locating and characterizing protein cavities and binding sites. Proteins. 78: 825-42. PMID 19847777 DOI: 10.1002/Prot.22608  1
2010 Spyrakis F, Cozzini P, Kellogg GE. Docking and Scoring in Drug Discovery Burger's Medicinal Chemistry and Drug Discovery. 601-684. DOI: 10.1002/0471266949.Bmc140  1
2009 Tripathi A, Durrant D, Lee RM, Baruchello R, Romagnoli R, Simoni D, Kellogg GE. Hydropathic analysis and biological evaluation of stilbene derivatives as colchicine site microtubule inhibitors with anti-leukemic activity. Journal of Enzyme Inhibition and Medicinal Chemistry. 24: 1237-44. PMID 19912057 DOI: 10.3109/14756360902787055  1
2009 Li Q, Al-Ayoubi A, Guo T, Zheng H, Sarkar A, Nguyen T, Eblen ST, Grant S, Kellogg GE, Zhang S. Structure-activity relationship (SAR) studies of 3-(2-amino-ethyl)-5-(4-ethoxy-benzylidene)-thiazolidine-2,4-dione: development of potential substrate-specific ERK1/2 inhibitors. Bioorganic & Medicinal Chemistry Letters. 19: 6042-6. PMID 19796943 DOI: 10.1016/J.Bmcl.2009.09.057  1
2009 Shah JR, Mosier PD, Roth BL, Kellogg GE, Westkaemper RB. Synthesis, structure-affinity relationships, and modeling of AMDA analogs at 5-HT2A and H1 receptors: structural factors contributing to selectivity. Bioorganic & Medicinal Chemistry. 17: 6496-504. PMID 19700330 DOI: 10.1016/J.Bmc.2009.08.016  1
2009 Bayden AS, Fornabaio M, Scarsdale JN, Kellogg GE. Web application for studying the free energy of binding and protonation states of protein-ligand complexes based on HINT. Journal of Computer-Aided Molecular Design. 23: 621-32. PMID 19554265 DOI: 10.1007/S10822-009-9270-7  1
2009 Li G, Haney KM, Kellogg GE, Zhang Y. Comparative docking study of anibamine as the first natural product CCR5 antagonist in CCR5 homology models. Journal of Chemical Information and Modeling. 49: 120-32. PMID 19166361 DOI: 10.1021/Ci800356A  1
2009 Simoni D, Invidiata FP, Eleopra M, Marchetti P, Rondanin R, Baruchello R, Grisolia G, Tripathi A, Kellogg GE, Durrant D, Lee RM. Design, synthesis and biological evaluation of novel stilbene-based antitumor agents. Bioorganic & Medicinal Chemistry. 17: 512-22. PMID 19117761 DOI: 10.1016/J.Bmc.2008.12.002  1
2009 Durrant DE, Richards J, Tripathi A, Kellogg GE, Marchetti P, Eleopra M, Grisolia G, Simoni D, Lee RM. Development of water soluble derivatives of cis-3, 4', 5-trimethoxy-3'-aminostilbene for optimization and use in cancer therapy. Investigational New Drugs. 27: 41-52. PMID 18516499 DOI: 10.1007/S10637-008-9139-Y  1
2009 Sarkar A, Kellogg GE. Book Review of Computational Drug Design. A Guide for Computational and Medicinal Chemists Computational Drug Design. A Guide for Computational and Medicinal Chemists . Edited by David C. Young John Wiley & Sons, Inc. , Hoboken, NJ . 2009 . xxxvi + 307 pp. 16 × 24 cm. ISBN 978-0-470-12685-1 . $100.00. Journal of Medicinal Chemistry. 52: 4977-4977. DOI: 10.1021/Jm900605K  0.01
2008 Cozzini P, Kellogg GE, Spyrakis F, Abraham DJ, Costantino G, Emerson A, Fanelli F, Gohlke H, Kuhn LA, Morris GM, Orozco M, Pertinhez TA, Rizzi M, Sotriffer CA. Target flexibility: an emerging consideration in drug discovery and design. Journal of Medicinal Chemistry. 51: 6237-55. PMID 18785728 DOI: 10.1021/Jm800562D  1
2008 Chen D, Misra M, Sower L, Peterson JW, Kellogg GE, Schein CH. Novel inhibitors of anthrax edema factor. Bioorganic & Medicinal Chemistry. 16: 7225-33. PMID 18620864 DOI: 10.1016/J.Bmc.2008.06.036  0.01
2008 Marabotti A, Spyrakis F, Facchiano A, Cozzini P, Alberti S, Kellogg GE, Mozzarelli A. Energy-based prediction of amino acid-nucleotide base recognition. Journal of Computational Chemistry. 29: 1955-69. PMID 18366021 DOI: 10.1002/Jcc.20954  1
2008 Amadasi A, Surface JA, Spyrakis F, Cozzini P, Mozzarelli A, Kellogg GE. Robust classification of "relevant" water molecules in putative protein binding sites. Journal of Medicinal Chemistry. 51: 1063-7. PMID 18232647 DOI: 10.1021/Jm701023H  1
2008 Cao TM, Durrant D, Tripathi A, Liu J, Tsai S, Kellogg GE, Simoni D, Lee RM. Stilbene derivatives that are colchicine-site microtubule inhibitors have antileukemic activity and minimal systemic toxicity. American Journal of Hematology. 83: 390-7. PMID 18175355 DOI: 10.1002/Ajh.21104  1
2008 Tripathi A, Fornabaio M, Kellogg GE, Gupton JT, Gewirtz DA, Yeudall WA, Vega NE, Mooberry SL. Docking and hydropathic scoring of polysubstituted pyrrole compounds with antitubulin activity Bioorganic and Medicinal Chemistry. 16: 2235-2242. PMID 18083520 DOI: 10.1016/J.Bmc.2007.11.076  1
2008 Mosier PD, Kellogg GE. Molecular modeling: Considerations for the design of pharmaceuticals and biopharmaceuticals Biopharmaceutical Drug Design and Development. 267-291. DOI: 10.1007/978-1-59745-532-9_13  1
2007 Iyer SS, Kellogg GE, Karnes HT. A LC-electrospray tandem MS method for the analysis of naltrexone in canine plasma employing a molecular model to demonstrate the absence of internal standard deuterium isotope effects. Journal of Chromatographic Science. 45: 694-700. PMID 18078579 DOI: 10.1093/Chromsci/45.10.694  1
2007 Peng Y, Scarsdale JN, Kellogg GE. Hydropathic analysis and comparison of KcsA and Shaker potassium channels. Chemistry & Biodiversity. 4: 2578-92. PMID 18027372 DOI: 10.1002/Cbdv.200790211  1
2007 Tripathi A, Fornabaio M, Spyrakis F, Mozzarelli A, Cozzini P, Kellogg GE. Complexity in modeling and understanding protonation states: computational titration of HIV-1-protease-inhibitor complexes. Chemistry & Biodiversity. 4: 2564-77. PMID 18027371 DOI: 10.1002/Cbdv.200790210  1
2007 Yakovlev VA, Barani IJ, Rabender CS, Black SM, Leach JK, Graves PR, Kellogg GE, Mikkelsen RB. Tyrosine nitration of IkappaBalpha: a novel mechanism for NF-kappaB activation. Biochemistry. 46: 11671-83. PMID 17910475 DOI: 10.1021/Bi701107Z  1
2007 Arthur CR, Gupton JT, Kellogg GE, Yeudall WA, Cabot MC, Newsham IF, Gewirtz DA. Autophagic cell death, polyploidy and senescence induced in breast tumor cells by the substituted pyrrole JG-03-14, a novel microtubule poison Biochemical Pharmacology. 74: 981-991. PMID 17692290 DOI: 10.1016/J.Bcp.2007.07.003  1
2007 Porotto M, Carta P, Deng Y, Kellogg GE, Whitt M, Lu M, Mungall BA, Moscona A. Molecular determinants of antiviral potency of paramyxovirus entry inhibitors Journal of Virology. 81: 10567-10574. PMID 17652384 DOI: 10.1128/Jvi.01181-07  1
2007 Spyrakis F, Amadasi A, Fornabaio M, Abraham DJ, Mozzarelli A, Kellogg GE, Cozzini P. The consequences of scoring docked ligand conformations using free energy correlations. European Journal of Medicinal Chemistry. 42: 921-33. PMID 17346861 DOI: 10.1016/J.Ejmech.2006.12.037  1
2007 Porotto M, Fornabaio M, Kellogg GE, Moscona A. A second receptor binding site on human parainfluenza virus type 3 hemagglutinin-neuraminidase contributes to activation of the fusion mechanism Journal of Virology. 81: 3216-3228. PMID 17229690 DOI: 10.1128/Jvi.02617-06  1
2007 Spyrakis F, Cozzini P, Bertoli C, Marabotti A, Kellogg GE, Mozzarelli A. Energetics of the protein-DNA-water interaction. Bmc Structural Biology. 7: 4. PMID 17214883 DOI: 10.1186/1472-6807-7-4  1
2006 Porotto M, Doctor L, Carta P, Fornabaio M, Greengard O, Kellogg GE, Moscona A. Inhibition of Hendra virus fusion Journal of Virology. 80: 9837-9849. PMID 16973588 DOI: 10.1128/Jvi.00736-06  1
2006 Amadasi A, Spyrakis F, Cozzini P, Abraham DJ, Kellogg GE, Mozzarelli A. Mapping the energetics of water-protein and water-ligand interactions with the "natural" HINT forcefield: predictive tools for characterizing the roles of water in biomolecules. Journal of Molecular Biology. 358: 289-309. PMID 16497327 DOI: 10.1016/J.Jmb.2006.01.053  1
2006 Porotto M, Fornabaio M, Greengard O, Murrell MT, Kellogg GE, Moscona A. Paramyxovirus receptor-binding molecules: Engagement of one site on the hemagglutinin-neuraminidase protein modulates activity at the second site Journal of Virology. 80: 1204-1213. PMID 16414997 DOI: 10.1128/Jvi.80.3.1204-1213.2006  1
2006 Kellogg GE, Fornabaio M, Chen DL, Abraham DJ, Spyrakis F, Cozzini P, Mozzarelli A. Tools for building a comprehensive modeling system for virtual screening under real biological conditions: The Computational Titration algorithm. Journal of Molecular Graphics & Modelling. 24: 434-9. PMID 16236534 DOI: 10.1016/J.Jmgm.2005.09.001  1
2006 Kellogg GE. Computer Applications in PharmaceuticalResearch and DevelopmentEdited by Sean Ekins. John Wiley & Sons, Inc., Hoboken, NJ. 2006. xix + 805 pp. 16 × 24 cm. ISBN 0-471-73779-8. $125.00. Journal of Medicinal Chemistry. 49: 7923-7923. DOI: 10.1021/Jm0680474  0.01
2006 Cozzini P, Fornabaio M, Mozzarelli A, Spyrakis F, Kellogg GE, Abraham DJ. Water: How to evaluate its contribution in protein-ligand interactions International Journal of Quantum Chemistry. 106: 647-651. DOI: 10.1002/Qua.20812  1
2005 Chen DL, Kellogg GE. A computational tool to optimize ligand selectivity between two similar biomacromolecular targets. Journal of Computer-Aided Molecular Design. 19: 69-82. PMID 16075302 DOI: 10.1007/S10822-005-1485-7  1
2005 Iyer SS, Gao S, Zhang ZP, Kellogg GE, Karnes HT. A molecular model to explain paclitaxel and docetaxel sensitivity changes through adduct formation with primary amines in electrospray ionization mass spectrometry. Rapid Communications in Mass Spectrometry : Rcm. 19: 1221-6. PMID 15838931 DOI: 10.1002/Rcm.1914  1
2005 McGrath CF, Pattabiraman N, Kellogg GE, Lemcke T, Kunick C, Sausville EA, Zaharevitz DW, Gussio R. Homology model of the CDK1/cyclin B complex. Journal of Biomolecular Structure & Dynamics. 22: 493-502. PMID 15702922 DOI: 10.1080/07391102.2005.10531227  1
2004 Kellogg GE, Chen DL. The importance of being exhaustive. Optimization of bridging structural water molecules and water networks in models of biological systems. Chemistry & Biodiversity. 1: 98-105. PMID 17191777 DOI: 10.1002/Cbdv.200490016  1
2004 Cozzini P, Fornabaio M, Marabotti A, Abraham DJ, Kellogg GE, Mozzarelli A. Free energy of ligand binding to protein: evaluation of the contribution of water molecules by computational methods. Current Medicinal Chemistry. 11: 3093-118. PMID 15579003 DOI: 10.2174/0929867043363929  0.4
2004 Spyrakis F, Fornabaio M, Cozzini P, Mozzarelli A, Abraham DJ, Kellogg GE. Computational titration analysis of a multiprotic HIV-1 protease-ligand complex. Journal of the American Chemical Society. 126: 11764-5. PMID 15382890 DOI: 10.1021/Ja0465754  1
2004 Iyer SS, Zhang ZP, Kellogg GE, Karnes HT. Evaluation of deuterium isotope effects in normal-phase LC-MS-MS separations using a molecular modeling approach. Journal of Chromatographic Science. 42: 383-7. PMID 15355579 DOI: 10.1093/Chromsci/42.7.383  1
2004 Fornabaio M, Spyrakis F, Mozzarelli A, Cozzini P, Abraham DJ, Kellogg GE. Simple, intuitive calculations of free energy of binding for protein-ligand complexes. 3. The free energy contribution of structural water molecules in HIV-1 protease complexes. Journal of Medicinal Chemistry. 47: 4507-16. PMID 15317462 DOI: 10.1021/Jm030596B  1
2004 He X, Reeve AM, Desai UR, Kellogg GE, Reynolds KA. 1,2-dithiole-3-ones as potent inhibitors of the bacterial 3-ketoacyl acyl carrier protein synthase III (FabH). Antimicrobial Agents and Chemotherapy. 48: 3093-102. PMID 15273125 DOI: 10.1128/Aac.48.8.3093-3102.2004  1
2004 Kellogg GE, Fornabaio M, Spyrakis F, Lodola A, Cozzini P, Mozzarelli A, Abraham DJ. Getting it right: modeling of pH, solvent and "nearly" everything else in virtual screening of biological targets. Journal of Molecular Graphics & Modelling. 22: 479-86. PMID 15182807 DOI: 10.1016/J.Jmgm.2004.03.008  1
2004 Cashman DJ, Kellogg GE. A computational model for anthracycline binding to DNA: tuning groove-binding intercalators for specific sequences. Journal of Medicinal Chemistry. 47: 1360-74. PMID 14998326 DOI: 10.1021/Jm030529H  1
2004 Kellogg GE. Molecular Modeling:  Basic Principles and Applications. 2nd Edition By Hans-Dieter Höltje, Wolfgang Sippl, Didier Rognan, and Gerd Folkers. Wiley-VCH, Weinheim, Germany. 2003. xii + 228 pp. 17 × 24 cm. ISBN 3527305890 (Paperback). $50.00. Journal of Medicinal Chemistry. 47: 4631-4631. DOI: 10.1021/Jm040111Z  0.01
2003 Fornabaio M, Cozzini P, Mozzarelli A, Abraham DJ, Kellogg GE. Simple, intuitive calculations of free energy of binding for protein-ligand complexes. 2. Computational titration and pH effects in molecular models of neuraminidase-inhibitor complexes. Journal of Medicinal Chemistry. 46: 4487-500. PMID 14521411 DOI: 10.1021/Jm0302593  1
2003 Cashman DJ, Scarsdale JN, Kellogg GE. Hydropathic analysis of the free energy differences in anthracycline antibiotic binding to DNA. Nucleic Acids Research. 31: 4410-6. PMID 12888500 DOI: 10.1093/Nar/Gkg645  1
2003 Aykin-Burns N, Laegeler A, Kellogg G, Ercal N. Oxidative effects of lead in young and adult Fisher 344 rats. Archives of Environmental Contamination and Toxicology. 44: 417-20. PMID 12712304 DOI: 10.1007/S00244-002-2023-4  1
2003 Kellogg GE, Semus SF. 3D QSAR in modern drug design. Exs. 223-41. PMID 12613179  0.01
2003 Rege B, Carter KM, Sarkar MA, Kellogg GE, Soine WH. Irreversible inhibition of CYP2D6 by (-)-chloroephedrine, a possible impurity in methamphetamine. Drug Metabolism and Disposition: the Biological Fate of Chemicals. 30: 1337-43. PMID 12433800 DOI: 10.1124/Dmd.30.12.1337  0.01
2003 Kellogg G, Phatak S, Nicholls A, Grant J. Validation of Poisson-Boltzmann Electrostatic Potential Fields in 3D QSAR: A CoMFA Study on Multiple Datasets Qsar & Combinatorial Science. 22: 959-964. DOI: 10.1002/Qsar.200330847  0.01
2002 Cozzini P, Fornabaio M, Marabotti A, Abraham DJ, Kellogg GE, Mozzarelli A. Simple, intuitive calculations of free energy of binding for protein-ligand complexes. 1. Models without explicit constrained water. Journal of Medicinal Chemistry. 45: 2469-83. PMID 12036355 DOI: 10.1021/Jm0200299  1
2002 Serpico JM, Ehrenberg SG, Fontanella JJ, Jiao X, Perahia D, McGrady KA, Sanders EH, Kellogg GE, Wnek GE. Transport and structural studies of sulfonated styrene-ethylene copolymer membranes Macromolecules. 35: 5916-5921. DOI: 10.1021/Ma020251N  1
2001 Kellogg GE, Burnett JC, Abraham DJ. Very empirical treatment of solvation and entropy: a force field derived from log Po/w. Journal of Computer-Aided Molecular Design. 15: 381-93. PMID 11349819 DOI: 10.1023/A:1011136228678  1
2001 Cashman DJ, Rife JP, Kellogg GE. Which aminoglycoside ring is most important for binding? A hydropathic analysis of gentamicin, paromomycin, and analogues. Bioorganic & Medicinal Chemistry Letters. 11: 119-22. PMID 11206440 DOI: 10.1016/S0960-894X(00)00615-6  1
2001 Burnett JC, Botti P, Abraham DJ, Kellogg GE. Computationally accessible method for estimating free energy changes resulting from site-specific mutations of biomolecules: systematic model building and structural/hydropathic analysis of deoxy and oxy hemoglobins. Proteins. 42: 355-77. PMID 11151007 DOI: 10.1002/1097-0134(20010215)42:3<355::Aid-Prot60>3.0.Co;2-F  1
2000 Marabotti A, Balestreri L, Cozzini P, Mozzarelli A, Kellogg GE, Abraham DJ. HINT predictive analysis of binding between retinol binding protein and hydrophobic ligands Bioorganic and Medicinal Chemistry Letters. 10: 2129-2132. PMID 10999486 DOI: 10.1016/S0960-894X(00)00414-5  1
2000 Eugene Kellogg G, Abraham DJ. Hydrophobicity: Is LogP(o/w) more than the sum of its parts? European Journal of Medicinal Chemistry. 35: 651-661. PMID 10960181 DOI: 10.1016/S0223-5234(00)00167-7  0.01
2000 Burnett JC, Kellogg GE, Abraham DJ. Computational methodology for estimating changes in free energies of biomolecular association upon mutation. The importance of bound water in dimer-tetramer assembly for beta 37 mutant hemoglobins. Biochemistry. 39: 1622-33. PMID 10677211 DOI: 10.1021/Bi991724U  1
1999 Neal R, Cooper K, Kellogg G, Gurer H, Ercal N. Effects of some sulfur-containing antioxidants on lead-exposed lenses. Free Radical Biology & Medicine. 26: 239-43. PMID 9890658 DOI: 10.1016/S0891-5849(98)00214-7  0.01
1998 Kellogg GE, Scarsdale JN, Fornari FA. Identification and hydropathic characterization of structural features affecting sequence specificity for doxorubicin intercalation into DNA double-stranded polynucleotides. Nucleic Acids Research. 26: 4721-32. PMID 9753742 DOI: 10.1093/Nar/26.20.4721  0.04
1998 Gussio R, Pattabiraman N, Kellogg GE, Zaharevitz DW. Use of 3D QSAR methodology for data mining the National Cancer Institute Repository of Small Molecules: application to HIV-1 reverse transcriptase inhibition. Methods (San Diego, Calif.). 14: 255-63. PMID 9571082 DOI: 10.1006/Meth.1998.0582  0.04
1997 Abraham DJ, Kellogg GE, Holt JM, Ackers GK. Hydropathic analysis of the non-covalent interactions between molecular subunits of structurally characterized hemoglobins. Journal of Molecular Biology. 272: 613-32. PMID 9325116 DOI: 10.1006/Jmbi.1997.1249  0.01
1997 Anderson CY, Kellogg GE, Freer RJ. C5aR ligand peptide 3D QSAR study performed with an applied linear conformation. The Journal of Peptide Research : Official Journal of the American Peptide Society. 49: 476-83. PMID 9266474 DOI: 10.1111/J.1399-3011.1997.Tb01154.X  0.01
1997 Kellogg GE. Computer-Aided Molecular Design. Theory and Applications By Jean-Pierre Doucet and Jacques Weber. Academic Press Ltd., London. 1996. xix + 487 pp. 17.5 × 24.5 cm. ISBN 0-12-221285-1. $55.00. Journal of Medicinal Chemistry. 40: 1178-1178. DOI: 10.1021/Jm970075M  0.01
1996 Kellogg GE, Kier LB, Gaillard P, Hall LH. E-state fields: applications to 3D QSAR. Journal of Computer-Aided Molecular Design. 10: 513-20. PMID 9007685 DOI: 10.1007/Bf00134175  0.01
1996 Wright CS, Kellogg GE. Differences in hydropathic properties of ligand binding at four independent sites in wheat germ agglutinin-oligosaccharide crystal complexes Protein Science. 5: 1466-1476. PMID 8844838 DOI: 10.1002/Pro.5560050803  1
1996 Gussio R, Pattabiraman N, Zaharevitz DW, Kellogg GE, Topol IA, Rice WG, Schaeffer CA, Erickson JW, Burt SK. All-atom models for the non-nucleoside binding site of HIV-1 reverse transcriptase complexed with inhibitors: a 3D QSAR approach. Journal of Medicinal Chemistry. 39: 1645-50. PMID 8648604 DOI: 10.1021/Jm9508088  1
1994 Wang P, Bauer GB, Kellogg GE, Abraham DJ, Povirk LF. Effect of distamycin on chlorambucil-induced mutagenesis in pZ189: Evidence of a role for minor groove alkylation at adenine N-3 Mutagenesis. 9: 133-139. PMID 8201946 DOI: 10.1093/Mutage/9.2.133  1
1994 Abraham DJ, Kellogg GE. The effect of physical organic properties on hydrophobic fields. Journal of Computer-Aided Molecular Design. 8: 41-9. PMID 8035211 DOI: 10.1007/Bf00124348  0.01
1994 Meng EC, Kuntz ID, Abraham DJ, Kellogg GE. Evaluating docked complexes with the HINT exponential function and empirical atomic hydrophobicities. Journal of Computer-Aided Molecular Design. 8: 299-306. PMID 7964929 DOI: 10.1007/Bf00126747  1
1993 Kellogg GE, Abraham DJ. KEY, LOCK, and LOCKSMITH: complementary hydropathic map predictions of drug structure from a known receptor-receptor structure from known drugs. Journal of Molecular Graphics. 10: 212-7, 226. PMID 1476993 DOI: 10.1016/0263-7855(92)80070-T  0.01
1992 Kellogg GE, Semus SF, Abraham DJ. HINT: a new method of empirical hydrophobic field calculation for CoMFA. Journal of Computer-Aided Molecular Design. 5: 545-52. PMID 1818090 DOI: 10.1007/Bf00135313  0.01
1991 Wireko FC, Kellogg GE, Abraham DJ. Allosteric modifiers of hemoglobin. 2. Crystallographically determined binding sites and hydrophobic binding/interaction analysis of novel hemoglobin oxygen effectors. Journal of Medicinal Chemistry. 34: 758-67. PMID 1995898 DOI: 10.1021/Jm00106A042  0.01
1989 Almeida M, Gaudiello JG, Kellogg GE, Tetrick SM, Marcy HO, McCarthy WJ, Butler JC, Kannewurf CR, Marks TJ. Molecular metals with widely tunable band filling. Response of the collective properties of a phthalocyanine molecular metal to drastic excursions in partial oxidation state and charge-compensating counterions Journal of the American Chemical Society. 111: 5271-5284. DOI: 10.1021/Ja00196A038  1
1989 Gaudiello JG, Kellogg GE, Tetrick SM, Marks TJ. Molecular metals with widely tunable band filling structure/stoichiometry/counterion relationships in the electrochemistry of a cofacially joined polymeric phthalocyanine metal Journal of the American Chemical Society. 111: 5259-5271. DOI: 10.1021/Ja00196A037  1
1989 Lichtenberger DL, Darsey GP, Kellogg GE, Sanner RD, Young VG, Clark JR. Relative strengths of early transition metal M-H and M-C bonds in substituted niobocenes and tantalocenes. Thermodynamic trends, and electronic factors of olefin insertion into a metal-hydride bond Journal of the American Chemical Society. 111: 5019-5028. DOI: 10.1021/Ja00196A001  0.01
1989 Kellogg GE, Gaudiello JG, Schlueter JA, Tetrick SM, Marks TJ, Marcy HO, McCarthy WJ, Kannewurf CR. Electrochemistry of cofacial phthalocyanine polymers: What can we learn about how molecular metal collective properties respond to wide variations in band filling? Synthetic Metals. 29: 15-24. DOI: 10.1016/0379-6779(89)90873-4  1
1989 LICHTENBERGER DL, DARSEY GP, KELLOGG GE, SANNER RD, YOUNG VGJ, CLARK JR. ChemInform Abstract: Relative Strengths of Early Transition Metal M-H and M-C Bonds in Substituted Niobocenes and Tantalocenes. Thermodynamic Trends and Electronic Factors of Olefin Insertion into a Metal-Hydride Bond Cheminform. 20. DOI: 10.1002/chin.198941041  0.01
1987 Rye RR, Kelber JA, Kellogg GE, Nebesny KW, Lichtenberger DL. Localization effects in the Auger spectra of ring nitrogen systems: Pyridine, poly(2‐vinyl)pyridine, borazine, and boron nitride Journal of Chemical Physics. 86: 4375-4383. DOI: 10.1063/1.451900  1
1987 Lichtenberger DL, Kellogg GE. Experimental quantum chemistry: photoelectron spectroscopy of organotransition-metal complexes Accounts of Chemical Research. 20: 379-387. DOI: 10.1021/Ar00142A004  1
1986 Lichtenberger DL, Kellogg GE, Kristofzski JG, Page D, Turner S, Klinger G, Lorenzen J. Inexpensive and high‐precision digital power supply and counting interface for UPS, XPS, and Auger spectrometers Review of Scientific Instruments. 57: 2366-2366. DOI: 10.1063/1.1139199  1
1986 Lichtenberger DL, Kellogg GE. Additions and Corrections. Electronic Structure Factors of Carbon-Hydrogen Bond Activation. The Photoelectron Spectroscopy of (Cyclohexenyl) manganese Tricarbonyl Journal of the American Chemical Society. 108: 7134-7134. DOI: 10.1021/Ja00282A602  1
1986 Lichtenberger DL, Kellogg GE. Electronic structure factors of carbon-hydrogen bond activation. The photoelectron spectroscopy of (cyclohexenyl)manganese tricarbonyl Journal of the American Chemical Society. 108: 2560-2567. DOI: 10.1021/Ja00270A012  0.01
1985 Lichtenberger DL, Kellogg GE, Landis GH. Principles of electronic structure in transition metal complexes. Additive ligand electronic effects and core–valence ionization correlations for Mo(CO)6−n(PMe3)n where n=0, 1, 2, 3 The Journal of Chemical Physics. 83: 2759-2768. DOI: 10.1063/1.449226  0.01
1984 Lichtenberger DL, Calabro DC, Kellogg GE. Electronic structure and bonding characteristics of cyclopentadienyl d8 metal-ligand complexes. Core and valence ionization study of CpM(CO)2 where M = Co and Rh and Cp = .eta.5-C5H5 and .eta.5-C5Me5 Organometallics. 3: 1623-1630. DOI: 10.1021/Om00089A004  0.01
1984 Bursten BE, Darensbourg DJ, Kellogg GE, Lichtenberger DL. Ligand additivity in the valence photoelectron spectroscopy of phosphine-substituted molybdenum carbonyls Inorganic Chemistry. 23: 4361-4365. DOI: 10.1021/Ic00193A050  0.01
Show low-probability matches.