Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints von Edman, Karl, Hosseini, Ali, Bjursell, Magnus K., Aagaard, Anna, Wissler, Lisa, Gunnarsson, Anders, Kaminski, Tim, Köhler, Christian, Bäckström, Stefan, Jensen, Tina J., Cavallin, Anders, Karlsson, Ulla, Nilsson, Ewa, Lecina, Daniel, Takahashi, Ryoji, Grebner, Christoph, Geschwindner, Stefan, Lepistö, Matti, Hogner, Anders C., Guallar, Victor

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CACHE (Critical Assessment of Computational Hit-finding Experiments): A public–private partnership benchmarking initiative to enable the development of computational methods for hi... von Ackloo, Suzanne, Al-awar, Rima, Amaro, Rommie E., Arrowsmith, Cheryl H., Azevedo, Hatylas, Batey, Robert A., Bengio, Yoshua, Betz, Ulrich A. K., Bologa, Cristian G., Chodera, John D., Cornell, Wendy D., Dunham, Ian, Ecker, Gerhard F., Edfeldt, Kristina, Edwards, Aled M., Gilson, Michael K., Gordijo, Claudia R., Hessler, Gerhard, Hillisch, Alexander, Hogner, Anders, Irwin, John J., Jansen, Johanna M., Kuhn, Daniel, Leach, Andrew R., Lee, Alpha A., Lessel, Uta, Morgan, Maxwell R., Moult, John, Muegge, Ingo, Oprea, Tudor I., Perry, Benjamin G., Riley, Patrick, Rousseaux, Sophie A. L., Saikatendu, Kumar Singh, Santhakumar, Vijayaratnam, Schapira, Matthieu, Scholten, Cora, Todd, Matthew H., Vedadi, Masoud, Volkamer, Andrea, Willson, Timothy M.

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3D-Lab: a collaborative web-based platform for molecular modeling von Grebner, Christoph, Norrby, Magnus, Enström, Jonatan, Nilsson, Ingemar, Hogner, Anders, Henriksson, Jonas, Westin, Johan, Faramarzi, Farzad, Werner, Philip, Boström, Jonas

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Oxadiazoles in Medicinal Chemistry von Boström, Jonas, Hogner, Anders, Llinàs, Antonio, Wellner, Eric, Plowright, Alleyn T

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Membrane Permeability in Cyclic Peptides is Modulated by Core Conformations von Cipcigan, Flaviu, Smith, Paul, Crain, Jason, Hogner, Anders, De Maria, Leonardo, Llinas, Antonio, Ratkova, Ekaterina

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Unravelling Allosteric Cross-Talk between Co-Activator Peptide and Ligand Binding Site in Glucocorticoid Receptor von La Sala, Giuseppina, Gunnarsson, Anders, Edman, Karl, Tyrchan, Christian, Hogner, Anders, Frolov, Andrey

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Do Structurally Similar Ligands Bind in a Similar Fashion? von Boström, Jonas, Hogner, Anders, Schmitt, Stefan

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Combining Monte Carlo and Molecular Dynamics Simulations for Enhanced Binding Free Energy Estimation through Markov State Models von Gilabert, Joan F, Gracia Carmona, Oriol, Hogner, Anders, Guallar, Victor

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Unraveling the Allosteric Cross-Talk between the Coactivator Peptide and the Ligand-Binding Site in the Glucocorticoid Receptor von La Sala, Giuseppina, Gunnarsson, Anders, Edman, Karl, Tyrchan, Christian, Hogner, Anders, Frolov, Andrey I

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Binding Mode and Induced Fit Predictions for Prospective Computational Drug Design von Grebner, Christoph, Iegre, Jessica, Ulander, Johan, Edman, Karl, Hogner, Anders, Tyrchan, Christian

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Exploring Binding Mechanisms in Nuclear Hormone Receptors by Monte Carlo and X-ray-derived Motions von Grebner, Christoph, Lecina, Daniel, Gil, Victor, Ulander, Johan, Hansson, Pia, Dellsen, Anita, Tyrchan, Christian, Edman, Karl, Hogner, Anders, Guallar, Victor

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Discovery of (3-(4-(2-Oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy)azetidin-1-yl)(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)methanone (AZD1979), a Melanin Concentrating Hormone Rece... von Johansson, Anders, Löfberg, Christian, Antonsson, Madeleine, von Unge, Sverker, Hayes, Martin A, Judkins, Robert, Ploj, Karolina, Benthem, Lambertus, Lindén, Daniel, Brodin, Peter, Wennerberg, Marie, Fredenwall, Marléne, Li, Lanna, Persson, Joachim, Bergman, Rolf, Pettersen, Anna, Gennemark, Peter, Hogner, Anders

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Combining structural and coevolution information to unveil allosteric sites von La Sala, Giuseppina, Pfleger, Christopher, Käck, Helena, Wissler, Lisa, Nevin, Philip, Böhm, Kerstin, Janet, Jon Paul, Schimpl, Marianne, Stubbs, Christopher J, De Vivo, Marco, Tyrchan, Christian, Hogner, Anders, Gohlke, Holger, Frolov, Andrey I

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CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson’s Disease Associated Protein von Li, Fengling, Ackloo, Suzanne, Arrowsmith, Cheryl H., Ban, Fuqiang, Barden, Christopher J., Beck, Hartmut, Beránek, Jan, Berenger, Francois, Bolotokova, Albina, Bret, Guillaume, Breznik, Marko, Carosati, Emanuele, Chau, Irene, Chen, Yu, Cherkasov, Artem, Corte, Dennis Della, Denzinger, Katrin, Dong, Aiping, Draga, Sorin, Dunn, Ian, Edfeldt, Kristina, Edwards, Aled, Eguida, Merveille, Eisenhuth, Paul, Friedrich, Lukas, Fuerll, Alexander, Gardiner, Spencer S, Gentile, Francesco, Ghiabi, Pegah, Gibson, Elisa, Glavatskikh, Marta, Gorgulla, Christoph, Guenther, Judith, Gunnarsson, Anders, Gusev, Filipp, Gutkin, Evgeny, Halabelian, Levon, Harding, Rachel J., Hillisch, Alexander, Hoffer, Laurent, Hogner, Anders, Houliston, Scott, Irwin, John J, Isayev, Olexandr, Ivanova, Aleksandra, Jacquemard, Celien, Jarrett, Austin J, Jensen, Jan H., Kireev, Dmitri, Kleber, Julian, Koby, S. Benjamin, Koes, David, Kumar, Ashutosh, Kurnikova, Maria G., Kutlushina, Alina, Lessel, Uta, Liessmann, Fabian, Liu, Sijie, Lu, Wei, Meiler, Jens, Mettu, Akhila, Minibaeva, Guzel, Moretti, Rocco, Morris, Connor J, Narangoda, Chamali, Noonan, Theresa, Obendorf, Leon, Pach, Szymon, Pandit, Amit, Perveen, Sumera, Poda, Gennady, Polishchuk, Pavel, Puls, Kristina, Pütter, Vera, Rognan, Didier, Roskams-Edris, Dylan, Schindler, Christina, Sindt, François, Spiwok, Vojtěch, Steinmann, Casper, Stevens, Rick L., Talagayev, Valerij, Tingey, Damon, Vu, Oanh, Walters, W. Patrick, Wang, Xiaowen, Wang, Zhenyu, Wolber, Gerhard, Wolf, Clemens Alexander, Wortmann, Lars, Zeng, Hong, Zepeda, Carlos A., Zhang, Kam Y. J., Zhang, Jixian, Zheng, Shuangjia, Schapira, Matthieu

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Discovery by Virtual Screening of an Inhibitor of CDK5-Mediated PPARγ Phosphorylation von O’Mahony, Gavin, Petersen, Jens, Ek, Margareta, Rae, Rebecca, Johansson, Carina, Jianming, Liu, Prokoph, Nina, Bergström, Fredrik, Bamberg, Krister, Giordanetto, Fabrizio, Zarrouki, Bader, Karlsson, Daniel, Hogner, Anders

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PELE-MSM: A Monte Carlo Based Protocol for the Estimation of Absolute Binding Free Energies von Gilabert, Joan F, Grebner, Christoph, Soler, Daniel, Lecina, Daniel, Municoy, Martí, Gracia Carmona, Oriol, Soliva, Robert, Packer, Martin J, Hughes, Samantha J, Tyrchan, Christian, Hogner, Anders, Guallar, Victor

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Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection von Granberg, Kenneth L, Yuan, Zhong-Qing, Lindmark, Bo, Edman, Karl, Kajanus, Johan, Hogner, Anders, Malmgren, Marcus, O’Mahony, Gavin, Nordqvist, Anneli, Lindberg, Jan, Tångefjord, Stefan, Kossenjans, Michael, Löfberg, Christian, Brånalt, Jonas, Liu, Dongmei, Selmi, Nidhal, Nikitidis, Grigorios, Nordberg, Peter, Hayen, Ahlke, Aagaard, Anna, Hansson, Eva, Hermansson, Majlis, Ivarsson, Ida, Jansson-Löfmark, Rasmus, Karlsson, Ulla, Johansson, Ulrika, William-Olsson, Lena, Hartleib-Geschwindner, Judith, Bamberg, Krister

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Exploring binding mechanisms in nuclear hormone receptors by Monte Carlo and x-ray-derived motions von Grebner, Christoph, Lecina, Daniel, Gil, Víctor, Ulander, Johan, Hansson, Pia K, Dellsen, Anita, Tyrchan, Christian, Edman, Karl, Hogner, Anders C, Guallar i Tasies, Víctor

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Predicting the relative binding affinity of mineralocorticoid receptor antagonists by density functional methods von Roos, Katarina, Hogner, Anders, Ogg, Derek, Packer, Martin J., Hansson, Eva, Granberg, Kenneth L., Evertsson, Emma, Nordqvist, Anneli

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Structure‐Based Drug Design of Mineralocorticoid Receptor Antagonists to Explore Oxosteroid Receptor Selectivity von Nordqvist, Anneli, O'Mahony, Gavin, Fridén‐Saxin, Maria, Fredenwall, Marlene, Hogner, Anders, Granberg, Kenneth L., Aagaard, Anna, Bäckström, Stefan, Gunnarsson, Anders, Kaminski, Tim, Xue, Yafeng, Dellsén, Anita, Hansson, Eva, Hansson, Pia, Ivarsson, Ida, Karlsson, Ulla, Bamberg, Krister, Hermansson, Majlis, Georgsson, Jennie, Lindmark, Bo, Edman, Karl

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