Where are the boundaries? Automated pocket detection for druggability studies

Bằng Volkamer Andrea, Grombacher T, Rarey Matthias
Được phát hành 2010-05-01

Where are the boundaries? Automated pocket detection for druggability studies

Bằng Volkamer, Andrea, Grombacher, T, Rarey, Matthias
Được phát hành 2010

Truly Target-Focused Pharmacophore Modeling: A Novel Tool for Mapping Intermolecular Surfaces

Bằng Mortier, Jérémie, Dhakal, Pratik, Volkamer, Andrea
Xuất bản năm Molecules (2018)

Deep Learning in Virtual Screening: Recent Applications and Developments

Bằng Kimber, Talia B., Chen, Yonghui, Volkamer, Andrea
Xuất bản năm Int J Mol Sci (2021)

TeachOpenCADD: a teaching platform for computer-aided drug design using open source packages and data

Bằng Sydow, Dominique, Morger, Andrea, Driller, Maximilian, Volkamer, Andrea
Xuất bản năm J Cheminform (2019)

KinMap: a web-based tool for interactive navigation through human kinome data

Bằng Eid, Sameh, Turk, Samo, Volkamer, Andrea, Rippmann, Friedrich, Fulle, Simone
Xuất bản năm BMC Bioinformatics (2017)

Revealing cytotoxic substructures in molecules using deep learning

Bằng Webel, Henry E., Kimber, Talia B., Radetzki, Silke, Neuenschwander, Martin, Nazaré, Marc, Volkamer, Andrea
Xuất bản năm J Comput Aided Mol Des (2020)

Is structure based drug design ready for selectivity optimization?

Bằng Albanese, Steven K., Chodera, John D., Volkamer, Andrea, Keng, Simon, Abel, Robert, Wang, Lingle
Xuất bản năm J Chem Inf Model (2020)

ProteinsPlus: a web portal for structure analysis of macromolecules

Bằng Fährrolfes, Rainer, Bietz, Stefan, Flachsenberg, Florian, Meyder, Agnes, Nittinger, Eva, Otto, Thomas, Volkamer, Andrea, Rarey, Matthias
Xuất bản năm Nucleic Acids Res (2017)

Assessing the calibration in toxicological in vitro models with conformal prediction

Bằng Morger, Andrea, Svensson, Fredrik, Arvidsson McShane, Staffan, Gauraha, Niharika, Norinder, Ulf, Spjuth, Ola, Volkamer, Andrea
Xuất bản năm J Cheminform (2021)

KnowTox: pipeline and case study for confident prediction of potential toxic effects of compounds in early phases of development

Bằng Morger, Andrea, Mathea, Miriam, Achenbach, Janosch H., Wolf, Antje, Buesen, Roland, Schleifer, Klaus-Juergen, Landsiedel, Robert, Volkamer, Andrea
Xuất bản năm J Cheminform (2020)

Analyzing Kinase Similarity in Small Molecule and Protein Structural Space to Explore the Limits of Multi-Target Screening

Bằng Schmidt, Denis, Scharf, Magdalena M., Sydow, Dominique, Aßmann, Eva, Martí-Solano, Maria, Keul, Marina, Volkamer, Andrea, Kolb, Peter
Xuất bản năm Molecules (2021)

ChemBioSim: Enhancing Conformal Prediction of In Vivo Toxicity by Use of Predicted Bioactivities

Bằng Garcia de Lomana, Marina, Morger, Andrea, Norinder, Ulf, Buesen, Roland, Landsiedel, Robert, Volkamer, Andrea, Kirchmair, Johannes, Mathea, Miriam
Xuất bản năm J Chem Inf Model (2021)

Oxazole-Bridged Combretastatin A-4 Derivatives with Tethered Hydroxamic Acids: Structure–Activity Relations of New Inhibitors of HDAC and/or Tubulin Function

Bằng Schmitt, Florian, Gosch, Lisa Chiara, Dittmer, Alexandra, Rothemund, Matthias, Mueller, Thomas, Schobert, Rainer, Biersack, Bernhard, Volkamer, Andrea, Höpfner, Michael
Xuất bản năm Int J Mol Sci (2019)

New 3-Aryl-2-(2-thienyl)acrylonitriles with High Activity Against Hepatoma Cells

Bằng Schaller, Eva, Ma, Andi, Gosch, Lisa Chiara, Klefenz, Adrian, Schaller, David, Goehringer, Nils, Kaps, Leonard, Schuppan, Detlef, Volkamer, Andrea, Schobert, Rainer, Biersack, Bernhard, Nitzsche, Bianca, Höpfner, Michael
Xuất bản năm Int J Mol Sci (2021)

11th German Conference on Chemoinformatics (GCC 2015): Fulda, Germany. 8–10 November 2015

Bằng Fechner, Uli, de Graaf, Chris, Torda, Andrew E., Güssregen, Stefan, Evers, Andreas, Matter, Hans, Hessler, Gerhard, Richmond, Nicola J., Schmidtke, Peter, Segler, Marwin H. S., Waller, Mark P., Pleik, Stefanie, Shea, Joan-Emma, Levine, Zachary, Mullen, Ryan, van den Broek, Karina, Epple, Matthias, Kuhn, Hubert, Truszkowski, Andreas, Zielesny, Achim, Fraaije, Johannes (Hans), Gracia, Ruben Serral, Kast, Stefan M., Bulusu, Krishna C., Bender, Andreas, Yosipof, Abraham, Nahum, Oren, Senderowitz, Hanoch, Krotzky, Timo, Schulz, Robert, Wolber, Gerhard, Bietz, Stefan, Rarey, Matthias, Zimmermann, Markus O., Lange, Andreas, Ruff, Manuel, Heidrich, Johannes, Onlia, Ionut, Exner, Thomas E., Boeckler, Frank M., Bermudez, Marcel, Firaha, Dzmitry S., Hollóczki, Oldamur, Kirchner, Barbara, Tautermann, Christofer S., Volkamer, Andrea, Eid, Sameh, Turk, Samo, Rippmann, Friedrich, Fulle, Simone, Saleh, Noureldin, Saladino, Giorgio, Gervasio, Francesco L., Haensele, Elke, Banting, Lee, Whitley, David C., Oliveira Santos, Jana Sopkova-de, Bureau, Ronan, Clark, Timothy, Sandmann, Achim, Lanig, Harald, Kibies, Patrick, Heil, Jochen, Hoffgaard, Franziska, Frach, Roland, Engel, Julian, Smith, Steven, Basu, Debjit, Rauh, Daniel, Kohlbacher, Oliver, Boeckler, Frank M., Essex, Jonathan W., Bodnarchuk, Michael S., Ross, Gregory A., Finkelmann, Arndt R., Göller, Andreas H., Schneider, Gisbert, Husch, Tamara, Schütter, Christoph, Balducci, Andrea, Korth, Martin, Ntie-Kang, Fidele, Günther, Stefan, Sippl, Wolfgang, Mbaze, Luc Meva’a, Ntie-Kang, Fidele, Simoben, Conrad V., Lifongo, Lydia L., Ntie-Kang, Fidele, Judson, Philip, Barilla, Jiří, Lokajíček, Miloš V., Pisaková, Hana, Simr, Pavel, Kireeva, Natalia, Petrov, Alexandre, Ostroumov, Denis, Solovev, Vitaly P., Pervov, Vladislav S., Friedrich, Nils-Ole, Sommer, Kai, Rarey, Matthias, Kirchmair, Johannes, Proschak, Eugen, Weber, Julia, Moser, Daniel, Kalinowski, Lena, Achenbach, Janosch, Mackey, Mark, Cheeseright, Tim, Renner, Gerrit, Renner, Gerrit, Schmidt, Torsten C., Schram, Jürgen, Egelkraut-Holtus, Marion, van Oeyen, Albert, Kalliokoski, Tuomo, Fourches, Denis, Ibezim, Akachukwu, Mbah, Chika J., Adikwu, Umale M., Nwodo, Ngozi J., Steudle, Alexander, Masek, Brian B., Nagy, Stephan, Baker, David, Soltanshahi, Fred, Dorfman, Roman, Dubrucq, Karen, Patel, Hitesh, Koch, Oliver, Mrugalla, Florian, Kast, Stefan M., Ain, Qurrat U., Fuchs, Julian E., Owen, Robert M., Omoto, Kiyoyuki, Torella, Rubben, Pryde, David C., Glen, Robert, Bender, Andreas, Hošek, Petr, Spiwok, Vojtěch, Mervin, Lewis H., Barrett, Ian, Firth, Mike, Murray, David C., McWilliams, Lisa, Cao, Qing, Engkvist, Ola, Warszycki, Dawid, Śmieja, Marek, Bojarski, Andrzej J., Aniceto, Natalia, Freitas, Alex, Ghafourian, Taravat, Herrmann, Guido, Eigner-Pitto, Valentina, Naß, Alexandra, Kurczab, Rafał, Bojarski, Andrzej J., Lange, Andreas, Günther, Marcel B., Hennig, Susanne, Büttner, Felix M., Schall, Christoph, Sievers-Engler, Adrian, Ansideri, Francesco, Koch, Pierre, Stehle, Thilo, Laufer, Stefan, Böckler, Frank M., Zdrazil, Barbara, Montanari, Floriane, Ecker, Gerhard F., Grebner, Christoph, Hogner, Anders, Ulander, Johan, Edman, Karl, Guallar, Victor, Tyrchan, Christian, Ulander, Johan, Tyrchan, Christian, Klute, Wolfgang, Bergström, Fredrik, Kramer, Christian, Nguyen, Quoc Dat, Frach, Roland, Kibies, Patrick, Strohfeldt, Steven, Böttcher, Saraphina, Pongratz, Tim, Horinek, Dominik, Kast, Stefan M., Rupp, Bernd, Al-Yamori, Raed, Lisurek, Michael, Kühne, Ronald, Furtado, Filipe, van den Broek, Karina, Wessjohann, Ludger, Mathea, Miriam, Baumann, Knut, Mohamad-Zobir, Siti Zuraidah, Fu, Xianjun, Fan, Tai-Ping, Bender, Andreas, Kuhn, Maximilian A., Sotriffer, Christoph A., Zoufir, Azedine, Li, Xitong, Mervin, Lewis, Berg, Ellen, Polokoff, Mark, Ihlenfeldt, Wolf D., Ihlenfeldt, Wolf D., Pretzel, Jette, Alhalabi, Zayan, Fraczkiewicz, Robert, Waldman, Marvin, Clark, Robert D., Shaikh, Neem, Garg, Prabha, Kos, Alexander, Himmler, Hans-Jürgen, Sandmann, Achim, Jardin, Christophe, Sticht, Heinrich, Steinbrecher, Thomas B., Dahlgren, Markus, Cappel, Daniel, Lin, Teng, Wang, Lingle, Krilov, Goran, Abel, Robert, Friesner, Richard, Sherman, Woody, Pöhner, Ina A., Panecka, Joanna, Wade, Rebecca C., Bietz, Stefan, Schomburg, Karen T., Hilbig, Matthias, Rarey, Matthias, Jäger, Christian, Wieczorek, Vivien, Westerhoff, Lance M., Borbulevych, Oleg Y., Demuth, Hans-Ulrich, Buchholz, Mirko, Schmidt, Denis, Rickmeyer, Thomas, Krotzky, Timo, Kolb, Peter, Mittal, Sumit, Sánchez-García, Elsa, Nogueira, Mauro S., Oliveira, Tiago B., da Costa, Fernando B., Schmidt, Thomas J.
Xuất bản năm J Cheminform (2016)