Prediction of Protein−Ligand Interactions. Docking and Scoring:  Successes and Gaps von Leach, Andrew R, Shoichet, Brian K, Peishoff, Catherine E

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Thousands of chemical starting points for antimalarial lead identification von Gamo, Francisco-Javier, Sanz, Laura M., Vidal, Jaume, de Cozar, Cristina, Alvarez, Emilio, Lavandera, Jose-Luis, Vanderwall, Dana E., Green, Darren V. S., Kumar, Vinod, Hasan, Samiul, Brown, James R., Peishoff, Catherine E., Cardon, Lon R., Garcia-Bustos, Jose F.

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A Critical Assessment of Docking Programs and Scoring Functions von 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

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CSAR 2014: A Benchmark Exercise Using Unpublished Data from Pharma von Carlson, Heather A, Smith, Richard D, Damm-Ganamet, Kelly L, Stuckey, Jeanne A, Ahmed, Aqeel, Convery, Maire A, Somers, Donald O, Kranz, Michael, Elkins, Patricia A, Cui, Guanglei, Peishoff, Catherine E, Lambert, Millard H, Dunbar, James B

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Tribute to William L. Jorgensen von Gao, Jiali, Orozco, Modesto, Peishoff, Catherine E

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Collaborating to improve the use of free-energy and other quantitative methods in drug discovery von Sherborne, Bradley, Shanmugasundaram, Veerabahu, Cheng, Alan C., Christ, Clara D., DesJarlais, Renee L., Duca, Jose S., Lewis, Richard A., Loughney, Deborah A., Manas, Eric S., McGaughey, Georgia B., Peishoff, Catherine E., van Vlijmen, Herman

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Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop von 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

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Design and synthesis of a C7 mimetic for the predicted .gamma.-turn conformation found in several constrained RGD antagonists von Callahan, James F, Bean, John W, Burgess, Joelle L, Eggleston, Drake S, Hwang, Shing Mei, Kopple, Kenneth D, Koster, Paul F, Nichols, Andrew, Peishoff, Catherine E

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Lysine 182 of Endothelin B Receptor Modulates Agonist Selectivity and Antagonist Affinity: Evidence for the Overlap of Peptide and Non-peptide Ligand Binding Sites von Lee, Jonathan A, Brinkmann, Joyce A, Longton, Enrique D, Peishoff, Catherine E, Lago, M. Amparo, Leber, Jack D, Cousins, Russell D, Gao, Aiming, Stadel, Jeffrey M

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Conformational analysis of cyclic hexapeptides containing the D-Pro-L-Pro sequence to fix .beta.-turn positions von Bean, John W, Kopple, Kenneth D, Peishoff, Catherine E

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Potent, Selective, Orally Active 3-Oxo-1,4-benzodiazepine GPIIb/IIIa Integrin Antagonists von Samanen, James M, Ali, Fadia E, Barton, Linda S, Bondinell, William E, Burgess, Joelle L, Callahan, James F, Calvo, Raul R, Chen, Wenting, Chen, Lichong, Erhard, Karl, Feuerstein, Giora, Heys, Richard, Hwang, Shing-Mei, Jakas, Dalia R, Keenan, Richard M, Ku, Thomas W, Kwon, Chet, Lee, Chao-Pin, Miller, William H, Newlander, Kenneth A, Nichols, Andrew, Parker, Michael, Peishoff, Catherine E, Rhodes, Gerald, Ross, Steven, Shu, Arthur, Simpson, Richard, Takata, Dennis, Yellin, Tobias O, Uzsinskas, Irene, Venslavsky, Joseph W, Yuan, Chuan-Kui, Huffman, William F

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Discovery of Potent Nonpeptide Vitronectin Receptor (αVβ3) Antagonists von Keenan, Richard M, Miller, William H, Kwon, Chet, Ali, Fadia E, Callahan, James F, Calvo, Raul R, Hwang, Shing-Mei, Kopple, Kenneth D, Peishoff, Catherine E, Samanen, James M, Wong, Angela S, Yuan, Chuan-Kui, Huffman, William F

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Investigation of conformational specificity at GPIIb/IIIa: evaluation of conformationally constrained RGD peptides von Peishoff, Catherine E, Ali, Fadia E, Bean, John W, Calvo, Raul, D'Ambrosio, Cynthia A, Eggleston, Drake S, Kline, Tammy Page, Koster, Paul F, Hwang, S. M

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Conformations of Arg-Gly-Asp containing heterodetic cyclic peptides: solution and crystal studies von Kopple, Kenneth D, Baures, Paul W, Bean, John W, D'Ambrosio, Cynthia A, Hughes, John L, Peishoff, Catherine E, Eggleston, Drake S

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Metal mediated protease inhibition: design and synthesis of inhibitors of the human cytomegalovirus (hCMV) protease von Dhanak, Dashyant, Burton, George, Christmann, Lisa T, Darcy, Michael G, Elrod, Kyle C, Kaura, Arun, Keenan, Richard M, Link, John O, Peishoff, Catherine E, Shah, Dinubhai H

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Computer-assisted mechanistic evaluation of organic reactions. 4. Organosilicon chemistry von Peishoff, Catherine E, Jorgensen, William L

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Potent non-peptide fibrinogen receptor antagonists which present an alternative pharmacophore von Ku, Thomas W, Miller, William H, Bondinell, William E, Erhard, Karl F, Keenan, Richard M, Nichols, Andrew J, Peishoff, Catherine E, Samanen, James M, Wong, Angela S, Huffman, William F

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Conformations of cyclic heptapeptides: crystal structure and computational studies of evolidine von Eggleston, Drake S, Baures, Paul W, Peishoff, Catherine E, Kopple, Kenneth D

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Prediction of protein-ligand interactions. Docking and scoring : Successes and gaps : Docking and scoring special section von LEACH, Andrew R, SHOICHET, Brian K, PEISHOFF, Catherine E

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Conformation of a cyclic heptapeptide in solution: an NMR constrained distance geometry search procedure von Peishoff, Catherine E, Bean, John W, Kopple, Kenneth D

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