MM/GBSA Binding Energy Prediction on the PDBbind Data Set: Successes, Failures, and Directions for Further Improvement von Greenidge, Paulette A, Kramer, Christian, Mozziconacci, Jean-Christophe, Wolf, Romain M

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Development and testing of a general amber force field von Wang, Junmei, Wolf, Romain M., Caldwell, James W., Kollman, Peter A., Case, David A.

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Discovery of CDZ173 (Leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors von Hoegenauer, Klemens, Soldermann, Nicolas, Zécri, Frédéric, Strang, Ross S, Graveleau, Nadege, Wolf, Romain M, Cooke, Nigel G, Smith, Alexander B, Hollingworth, Gregory J, Blanz, Joachim, Gutmann, Sascha, Rummel, Gabriele, Littlewood-Evans, Amanda, Burkhart, Christoph

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Homology Modeling of the Transmembrane Domain of the Human Calcium Sensing Receptor and Localization of an Allosteric Binding Site von Miedlich, Susanne U., Gama, Lucio, Seuwen, Klaus, Wolf, Romain M., Breitwieser, Gerda E.

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Receptors for Protons or Lipid Messengers or Both? von SEUWEN, KLAUS, LUDWIG, MARIE-GABRIELLE, WOLF, ROMAIN M.

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Extracting ligands from receptors by reversed targeted molecular dynamics von Wolf, Romain M.

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Discovery of Amino Alcohols as Highly Potent, Selective, and Orally Efficacious Inhibitors of Leukotriene A4 Hydrolase von Thoma, Gebhard, Markert, Christian, Lueoend, Rainer, Miltz, Wolfgang, Spanka, Carsten, Bollbuck, Birgit, Wolf, Romain M., Srinivas, Honnappa, Penno, Carlos A., Kiffe, Michael, Gajewska, Monika, Bednarczyk, Dallas, Wieczorek, Grazyna, Evans, Amanda, Beerli, Christian, Röhn, Till A.

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Optimizing a Weakly Binding Fragment into a Potent RORγt Inverse Agonist with Efficacy in an in Vivo Inflammation Model von Carcache, David A, Vulpetti, Anna, Kallen, Joerg, Mattes, Henri, Orain, David, Stringer, Rowan, Vangrevelinghe, Eric, Wolf, Romain M, Kaupmann, Klemens, Ottl, Johannes, Dawson, Janet, Cooke, Nigel G, Hoegenauer, Klemens, Billich, Andreas, Wagner, Juergen, Guntermann, Christine, Hintermann, Samuel

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Feasibility and physiological relevance of designing highly potent aminopeptidase-sparing leukotriene A4 hydrolase inhibitors von Numao, Shin, Hasler, Franziska, Laguerre, Claire, Srinivas, Honnappa, Wack, Nathalie, Jäger, Petra, Schmid, Andres, Osmont, Arnaud, Röthlisberger, Patrik, Houguenade, Jeremy, Bergsdorf, Christian, Dawson, Janet, Carte, Nathalie, Hofmann, Andreas, Markert, Christian, Hardaker, Liz, Billich, Andreas, Wolf, Romain M., Penno, Carlos A., Bollbuck, Birgit, Miltz, Wolfgang, Röhn, Till A.

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Proton-sensing G-protein-coupled receptors von Seuwen, Klaus, Ludwig, Marie-Gabrielle, Vanek, Miroslava, Guerini, Danilo, Gasser, Jürg A, Jones, Carol E, Junker, Uwe, Hofstetter, Hans, Wolf, Romain M

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Discovery of novel pyrrolidineoxy-substituted heteroaromatics as potent and selective PI3K delta inhibitors with improved physicochemical properties von Hoegenauer, Klemens, Soldermann, Nicolas, Hebach, Christina, Hollingworth, Gregory J., Lewis, Ian, von Matt, Anette, Smith, Alexander B., Wolf, Romain M., Wilcken, Rainer, Haasen, Dorothea, Burkhart, Christoph, Zécri, Frédéric

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Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors von Hoegenauer, Klemens, Soldermann, Nicolas, Stauffer, Frédéric, Furet, Pascal, Graveleau, Nadege, Smith, Alexander B, Hebach, Christina, Hollingworth, Gregory J, Lewis, Ian, Gutmann, Sascha, Rummel, Gabriele, Knapp, Mark, Wolf, Romain M, Blanz, Joachim, Feifel, Roland, Burkhart, Christoph, Zécri, Frédéric

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Molecular Characterization of Oxysterol Binding to the Epstein-Barr Virus-induced Gene 2 (GPR183) von Benned-Jensen, Tau, Norn, Christoffer, Laurent, Stephane, Madsen, Christian M., Larsen, Hjalte M., Arfelt, Kristine N., Wolf, Romain M., Frimurer, Thomas, Sailer, Andreas W., Rosenkilde, Mette M.

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Simulation of the different biological activities of diethylstilbestrol (DES) on estrogen receptor α and estrogen-related receptor γ von Nam, Kiyean, Marshall, Paul, M. Wolf, Romain, Cornell, Wendy

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1-Alkyl-4-phenyl-6-alkoxy-1H-quinazolin-2-ones: A Novel Series of Potent Calcium-Sensing Receptor Antagonists von Widler, Leo, Altmann, Eva, Beerli, René, Breitenstein, Werner, Bouhelal, Rochdi, Buhl, Thomas, Gamse, Rainer, Gerspacher, Marc, Halleux, Christine, John, Markus R, Lehmann, Hansjoerg, Kalb, Oskar, Kneissel, Michaela, Missbach, Martin, Müller, Irene R, Reidemeister, Sibylle, Renaud, Johanne, Taillardat, Agnes, Tommasi, Ruben, Weiler, Sven, Wolf, Romain M, Seuwen, Klaus

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Improved model building and assessment of the Calcium-sensing receptor transmembrane domain von Bu, Lintao, Michino, Mayako, Wolf, Romain M., Brooks III, Charles L.

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Dual Recognition of Double-Stranded DNA by 2′-Aminoethoxy-Modified Oligonucleotides von Cuenoud, Bernard, Casset, Florence, Hüsken, Dieter, Natt, François, Wolf, Romain M., Altmann, Karl-Heinz, Martin, Pierre, Moser, Heinz E.

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Junmei Wang, Romain M. Wolf, James W. Caldwell, Peter A. Kollman, and David A. Case, "Development and testing of a general amber force field"Journal of Computational Chemistry(2004... von Wang, Junmei, Wolf, Romain M., Caldwell, James W., Kollman, Peter A., Case, David A.

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Computation of low-energy crystalline arrangements of cellulose triacetate von Wolf, Romain M, Francotte, Eric, Glasser, Leslie, Simon, Istvan, Scheraga, Harold A

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Computational Chemistry at Novartis von Lewis, Richard, Ertl, Peter, Jacoby, Edgar, Tintelnot-Blomley, Marina, Gedeck, Peter, Wolf, Romain M., Peitsch, Manuel C.

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