Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database
Hawkins, Paul C. D, Skillman, A. Geoffrey, Warren, Gregory L, Ellingson, Benjamin A, Stahl, Matthew T
Published in Journal of chemical information and modeling (26.04.2010)
Published in Journal of chemical information and modeling (26.04.2010)
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Journal Article
POSIT: Flexible Shape-Guided Docking For Pose Prediction
Kelley, Brian P, Brown, Scott P, Warren, Gregory L, Muchmore, Steven W
Published in Journal of chemical information and modeling (24.08.2015)
Published in Journal of chemical information and modeling (24.08.2015)
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Journal Article
A Critical Assessment of Docking Programs and Scoring Functions
Warren, Gregory L, Andrews, C. Webster, Capelli, Anna-Maria, Clarke, Brian, LaLonde, Judith, Lambert, Millard H, Lindvall, Mika, Nevins, Neysa, Semus, Simon F, Senger, Stefan, Tedesco, Giovanna, Wall, Ian D, Woolven, James M, Peishoff, Catherine E, Head, Martha S
Published in Journal of medicinal chemistry (05.10.2006)
Published in Journal of medicinal chemistry (05.10.2006)
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Journal Article
Essential considerations for using protein–ligand structures in drug discovery
Warren, Gregory L., Do, Thanh D., Kelley, Brian P., Nicholls, Anthony, Warren, Stephen D.
Published in Drug discovery today (01.12.2012)
Published in Drug discovery today (01.12.2012)
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Journal Article
Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop
Adams, Paul D., Aertgeerts, Kathleen, Bauer, Cary, Bell, Jeffrey A., Berman, Helen M., Bhat, Talapady N., Blaney, Jeff M., Bolton, Evan, Bricogne, Gerard, Brown, David, Burley, Stephen K., Case, David A., Clark, Kirk L., Darden, Tom, Emsley, Paul, Feher, Victoria A., Feng, Zukang, Groom, Colin R., Harris, Seth F., Hendle, Jorg, Holder, Thomas, Joachimiak, Andrzej, Kleywegt, Gerard J., Krojer, Tobias, Marcotrigiano, Joseph, Mark, Alan E., Markley, John L., Miller, Matthew, Minor, Wladek, Montelione, Gaetano T., Murshudov, Garib, Nakagawa, Atsushi, Nakamura, Haruki, Nicholls, Anthony, Nicklaus, Marc, Nolte, Robert T., Padyana, Anil K., Peishoff, Catherine E., Pieniazek, Susan, Read, Randy J., Shao, Chenghua, Sheriff, Steven, Smart, Oliver, Soisson, Stephen, Spurlino, John, Stouch, Terry, Svobodova, Radka, Tempel, Wolfram, Terwilliger, Thomas C., Tronrud, Dale, Velankar, Sameer, Ward, Suzanna C., Warren, Gregory L., Westbrook, John D., Williams, Pamela, Yang, Huanwang, Young, Jasmine
Published in Structure (London) (05.04.2016)
Published in Structure (London) (05.04.2016)
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Journal Article
Lepidopteran-Active Variable-Region Sequence Imparts Coleopteran Activity in eCry3.1Ab, an Engineered Bacillus thuringiensis Hybrid Insecticidal Protein
Walters, Frederick S, deFontes, Cheryl M, Hart, Hope, Warren, Gregory W, Chen, Jeng S
Published in Applied and Environmental Microbiology (01.05.2010)
Published in Applied and Environmental Microbiology (01.05.2010)
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Journal Article
Improved ligand geometries in crystallographic refinement using AFITT in PHENIX
Janowski, Pawel A., Moriarty, Nigel W., Kelley, Brian P., Case, David A., York, Darrin M., Adams, Paul D., Warren, Gregory L.
Published in Acta crystallographica. Section D, Biological crystallography. (01.09.2016)
Published in Acta crystallographica. Section D, Biological crystallography. (01.09.2016)
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Journal Article
How to do an evaluation: pitfalls and traps
Hawkins, Paul C. D., Warren, Gregory L., Skillman, A. Geoffrey, Nicholls, Anthony
Published in Journal of computer-aided molecular design (01.03.2008)
Published in Journal of computer-aided molecular design (01.03.2008)
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Journal Article
The Application of Statistical Methods to Cognate Docking: A Path Forward?
Hawkins, Paul C. D, Kelley, Brian P, Warren, Gregory L
Published in Journal of chemical information and modeling (27.05.2014)
Published in Journal of chemical information and modeling (27.05.2014)
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Journal Article
Vip3A, a novel Bacillus thuringiensis vegetative insecticidal protein with a wide spectrum of activities against lepidopteran insects
Estruch, Juan J., Warren, Gregory W., Mullins, Martha A., Nye, Gordon J., Craig, Joyce A., Koziel, Michael G.
Published in Proceedings of the National Academy of Sciences - PNAS (28.05.1996)
Published in Proceedings of the National Academy of Sciences - PNAS (28.05.1996)
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Journal Article
From enzyme to zymogen: engineering Vip2, an ADP-ribosyltransferase from Bacillus cereus, for conditional toxicity
Jucovic, Milan, Walters, Frederick S., Warren, Gregory W., Palekar, Narendra V., Chen, Jeng S.
Published in Protein engineering, design and selection (01.10.2008)
Published in Protein engineering, design and selection (01.10.2008)
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Journal Article
Triangulating Syndemic Services and Drug Treatment Policy: Improving Drug Treatment Portal Locations in Baltimore City
Furr-Holden, C. Debra M, Milam, Adam J, Nesoff, Elizabeth D, Garoon, Joshua, Smart, Mieka J, Duncan, Alexandra, Warren, Gregory C
Published in Progress in community health partnerships (01.01.2016)
Published in Progress in community health partnerships (01.01.2016)
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Journal Article
The application of statistical methods to cognate docking: A path forward?
Stahl, Gunther, Hawkins, Paul CD, McGann, Mark, Geballe, Matthew T, Warren, Gregory L
Published in Journal of cheminformatics (11.03.2014)
Published in Journal of cheminformatics (11.03.2014)
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Journal Article
Field performance of elite transgenic maize plants expressing an insecticidal protein derived from Bacillus thuringiensis
Koziel, M.G. (CIBA-GEIGY Agricultural Biotechnology Research Unit, Research Triangle Park, NC), Beland, G.L, Bowman, C, Carozzi, N.B, Crenshaw, R, Crossland, L, Dawson, J, Desai, N, Hill, M, Kadwell, S
Published in Bio/technology (New York, N.Y. 1983) (01.02.1993)
Published in Bio/technology (New York, N.Y. 1983) (01.02.1993)
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Journal Article
Transgenic plants: an emerging approach to pest control
Estruch, J.J. (CIBA Agricultural Biotechnology, Durham, NC.), Carozzi, N.B, Desai, N, Duck, N.B, Warren, G.W, Koziel, M.G
Published in Nature biotechnology (01.02.1997)
Published in Nature biotechnology (01.02.1997)
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Journal Article
The Bacillus thuringiensis vegetative insecticidal protein Vip3A lyses midgut epithelium cells of susceptible insects
Yu, C.G. (CIBA Agricultural Biotechnology, Research Triangle Park, NC.), Mullins, M.A, Warren, G.W, Koziel, M.G, Estruch, J.J
Published in Applied and Environmental Microbiology (01.02.1997)
Published in Applied and Environmental Microbiology (01.02.1997)
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Journal Article
How to do an evaluation: pitfalls and traps
Hawkins, Paul C. D., Warren, Gregory L., Skillman, A. Geoffrey, Nicholls, Anthony
Published in Journal of computer-aided molecular design (01.03.2008)
Published in Journal of computer-aided molecular design (01.03.2008)
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Journal Article
Aminoalkoxybenzyl pyrrolidines as novel human urotensin-II receptor antagonists
Jin, Jian, Dhanak, Dashyant, Knight, Steven D., Widdowson, Katherine, Aiyar, Nambi, Naselsky, Diane, Sarau, Henry M., Foley, James J., Schmidt, Dulcie B., Bennett, Carl D., Wang, Bing, Warren, Gregory L., Moore, Michael L., Keenan, Richard M., Rivero, Ralph A., Douglas, Stephen A.
Published in Bioorganic & medicinal chemistry letters (01.07.2005)
Published in Bioorganic & medicinal chemistry letters (01.07.2005)
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