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of 711
pro vyhledávání: '"Wade, Rebecca C."'
Impact of an irreversible β-galactosylceramidase inhibitor on the lipid profile of zebrafish embryos
Autor:
Guerra, Jessica, Belleri, Mirella, Paiardi, Giulia, Tobia, Chiara, Capoferri, Davide, Corli, Marzia, Scalvini, Elisa, Ghirimoldi, Marco, Manfredi, Marcello, Wade, Rebecca C., Presta, Marco, Mignani, Luca
Publikováno v:
In Computational and Structural Biotechnology Journal December 2024 23:1397-1407
Autor:
Weidner, Philip, Saar, Daniel, Söhn, Michaela, Schroeder, Torsten, Yu, Yanxiong, Zöllner, Frank G., Ponelies, Norbert, Zhou, Xiaobo, Zwicky, André, Rohrbacher, Florian N., Pattabiraman, Vijaya R., Tanriver, Matthias, Bauer, Alexander, Ahmed, Hazem, Ametamey, Simon M., Riffel, Philipp, Seger, Rony, Bode, Jeffrey W., Wade, Rebecca C., Ebert, Matthias P.A., Kragelund, Birthe B., Burgermeister, Elke
Publikováno v:
In Cancer Letters 28 April 2024 588
Autor:
Paiardi, Giulia, Richter, Stefan, Oreste, Pasqua, Urbinati, Chiara, Rusnati, Marco, Wade, Rebecca C.
Heparin has been found to have antiviral activity against SARS-CoV-2. Here, by means of sliding window docking, molecular dynamics simulations and biochemical assays, we investigate the binding mode of heparin to the virus spike glycoprotein and the
Externí odkaz:
http://arxiv.org/abs/2103.07722
Simulations of macromolecular diffusion and adsorption in confined environments can offer valuable mechanistic insights into numerous biophysical processes. In order to model solutes at atomic detail on relevant time scales, Brownian Dynamics simulat
Externí odkaz:
http://arxiv.org/abs/2012.09248
The protein-ligand residence time, tau, influences molecular function in biological networks and has been recognized as an important determinant of drug efficacy. To predict tau, computational methods must overcome the problem that tau often exceeds
Externí odkaz:
http://arxiv.org/abs/2010.08763
Autor:
Kokha, Daria B., Doser, Bernd, Richter, Stefan, Ormersbach, Fabian, Cheng, Xingyi, Wade, Rebecca C.
Publikováno v:
J. Chem. Phys. 153, 125102 (2020)
The dissociation of ligands from proteins and other biomacromolecules occurs over a wide range of timescales. For most pharmaceutically relevant inhibitors, these timescales are far beyond those that are accessible by conventional molecular dynamics
Externí odkaz:
http://arxiv.org/abs/2006.11066
Due to the contribution of drug-target binding kinetics to drug efficacy, there is a high level of interest in developing methods to predict drug-target binding kinetic parameters. During the review period, a wide range of enhanced sampling molecular
Externí odkaz:
http://arxiv.org/abs/2002.08983
Akademický článek
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Akademický článek
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Autor:
Roussaki, Marina, Magoulas, George E., Fotopoulou, Theano, Santarem, Nuno, Barrias, Emile, Pöhner, Ina, Luelmo, Sara, Afroudakis, Pantelis, Georgikopoulou, Kalliopi, Nevado, Paloma Tejera, Eick, Julia, Bifeld, Eugenia, Corral, María J., Jiménez-Antón, María Dolores, Ellinger, Bernhard, Kuzikov, Maria, Fragiadaki, Irini, Scoulica, Effie, Gul, Sheraz, Clos, Joachim, Prousis, Kyriakos C., Torrado, Juan J., Alunda, José María, Wade, Rebecca C., de Souza, Wanderley, Cordeiro da Silva, Anabela, Calogeropoulou, Theodora
Publikováno v:
In Bioorganic Chemistry September 2023 138