Structure−Activity Landscape Index:  Identifying and Quantifying Activity Cliffs von Guha, Rajarshi, Van Drie, John H

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Cryo-EM as a powerful tool for drug discovery von Van Drie, John H, Tong, Liang

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Hit diffusion: limitations to drug discovery and structure-based design von Van Drie, John H.

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Discovery of a selective catalytic p300/CBP inhibitor that targets lineage-specific tumours von Lasko, Loren M., Jakob, Clarissa G., Edalji, Rohinton P., Qiu, Wei, Montgomery, Debra, Digiammarino, Enrico L., Hansen, T. Matt, Risi, Roberto M., Frey, Robin, Manaves, Vlasios, Shaw, Bailin, Algire, Mikkel, Hessler, Paul, Lam, Lloyd T., Uziel, Tamar, Faivre, Emily, Ferguson, Debra, Buchanan, Fritz G., Martin, Ruth L., Torrent, Maricel, Chiang, Gary G., Karukurichi, Kannan, Langston, J. William, Weinert, Brian T., Choudhary, Chunaram, de Vries, Peter, Kluge, Arthur F., Patane, Michael A., Van Drie, John H., Wang, Ce, McElligott, David, Kesicki, Ed, Marmorstein, Ronen, Sun, Chaohong, Cole, Philip A., Rosenberg, Saul H., Michaelides, Michael R., Lai, Albert, Bromberg, Kenneth D.

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Computer-aided drug design: the next 20 years von Van Drie, John H

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Assessing How Well a Modeling Protocol Captures a Structure−Activity Landscape von Guha, Rajarshi, Van Drie, John H

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Navigating structure–activity landscapes von Bajorath, Jürgen, Peltason, Lisa, Wawer, Mathias, Guha, Rajarshi, Lajiness, Michael S., Van Drie, John H.

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Discovery of Spiro Oxazolidinediones as Selective, Orally Bioavailable Inhibitors of p300/CBP Histone Acetyltransferases von Michaelides, Michael R, Kluge, Arthur, Patane, Michael, Van Drie, John H, Wang, Ce, Hansen, T. Matthew, Risi, Roberto M, Mantei, Robert, Hertel, Carmen, Karukurichi, Kannan, Nesterov, Alexandre, McElligott, David, de Vries, Peter, Langston, J. William, Cole, Philip A, Marmorstein, Ronen, Liu, Hong, Lasko, Loren, Bromberg, Kenneth D, Lai, Albert, Kesicki, Edward A

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Generation of three-dimensional pharmacophore models von Van Drie, John H.

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FOCUS  Development of a Global Communication and Modeling Platform for Applied and Computational Medicinal Chemists von Stiefl, Nikolaus, Gedeck, Peter, Chin, Donovan, Hunt, Peter, Lindvall, Mika, Spiegel, Katrin, Springer, Clayton, Biller, Scott, Buenemann, Christoph, Kanazawa, Takanori, Kato, Mitsunori, Lewis, Richard, Martin, Eric, Polyakov, Valery, Tommasi, Ruben, van Drie, John, Vash, Brian, Whitehead, Lewis, Xu, Yongjin, Abagyan, Ruben, Raush, Eugene, Totrov, Max

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A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1 von Clifton, Matthew C, Dranow, David M, Leed, Alison, Fulroth, Ben, Fairman, James W, Abendroth, Jan, Atkins, Kateri A, Wallace, Ellen, Fan, Dazhong, Xu, Guoping, Ni, Z J, Daniels, Doug, Van Drie, John, Wei, Guo, Burgin, Alex B, Golub, Todd R, Hubbard, Brian K, Serrano-Wu, Michael H

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Author Correction: Discovery of a selective catalytic p300/CBP inhibitor that targets lineage-specific tumours von Lasko, Loren M., Jakob, Clarissa G., Edalji, Rohinton P., Qiu, Wei, Montgomery, Debra, Digiammarino, Enrico L., Hansen, T. Matt, Risi, Roberto M., Frey, Robin, Manaves, Vlasios, Shaw, Bailin, Algire, Mikkel, Hessler, Paul, Lam, Lloyd T., Uziel, Tamar, Faivre, Emily, Ferguson, Debra, Buchanan, Fritz G., Martin, Ruth L., Torrent, Maricel, Chiang, Gary G., Karukurichi, Kannan, Langston, J. William, Weinert, Brian T., Choudhary, Chunaram, de Vries, Peter, Kluge, Arthur F., Patane, Michael A., Van Drie, John H., Wang, Ce, McElligott, David, Kesicki, Edward A., Marmorstein, Ronen, Sun, Chaohong, Cole, Philip A., Rosenberg, Saul H., Michaelides, Michael R., Lai, Albert, Bromberg, Kenneth D.

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Enhancement of binary QSAR analysis by a GA-based variable selection method von Gao, Hua, Lajiness, Michael S., Drie, John Van

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Protein folding, protein homeostasis, and cancer von Van Drie, John H

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Inhibitors of hepatitis C virus NS3·4A protease. Part 3: P 2 proline variants von Perni, Robert B, Farmer, Luc J, Cottrell, Kevin M, Court, John J, Courtney, Lawrence F, Deininger, David D, Gates, Cynthia A, Harbeson, Scott L, Kim, Joseph L, Lin, Chao, Lin, Kai, Luong, Yu-Ping, Maxwell, John P, Murcko, Mark A, Pitlik, Janos, Rao, B.Govinda, Schairer, Wayne C, Tung, Roger D, Van Drie, John H, Wilson, Keith, Thomson, John A

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Inhibitors of hepatitis C virus NS3·4A protease. Effect of P4 capping groups on inhibitory potency and pharmacokinetics von Perni, Robert B., Chandorkar, Gurudatt, Cottrell, Kevin M., Gates, Cynthia A., Lin, Chao, Lin, Kai, Luong, Yu-Ping, Maxwell, John P., Murcko, Mark A., Pitlik, Janos, Rao, Govinda, Schairer, Wayne C., Drie, John Van, Wei, Yunyi

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Approaches to virtual library design von Van Drie, John H, Lajiness, Michael S

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Clinical stage molecule PT150 is a modulator of glucocorticoid and androgen receptors with antiviral activity against SARS-CoV-2 von Theise, Neil D., Arment, Anthony R., Chakravarty, Dimple, Gregg, John M. H., Jacobson, Ira M., Jung, Kie Hoon, Nair, Sujit S., Tewari, Ashutosh K., Thurston, Archie W., Van Drie, John, Westover, Jonna B.

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History of 3D pharmacophore searching: commercial, academic and open-source tools von Van Drie, John H.

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Strategies for the determination of pharmacophoric 3D database queries von Van Drie, J H

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