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pro vyhledávání: '"Bonvin, Alexandre"'
Protein-protein interactions (PPIs) are associated with various diseases, including cancer, infections, and neurodegenerative disorders. Obtaining three-dimensional structural information on these PPIs serves as a foundation to interfere with those o
Externí odkaz:
http://arxiv.org/abs/2407.16375
Autor:
Honorato, Rodrigo Vargas, Koukos, Panagiotis I., Jiménez-García, Brian, Tsaregorodtsev, Andrei, Verlato, Marco, Giachetti, Andrea, Rosato, Antonio, Bonvin, Alexandre M. J. J.
Structural biology aims at characterizing the structural and dynamic properties of biological macromolecules at atomic details. Gaining insight into three dimensional structures of biomolecules and their interactions is critical for understanding the
Externí odkaz:
http://arxiv.org/abs/2107.01056
Proteins play crucial roles in every cellular process by interacting with each other, with nucleic acids, metabolites, and other molecules. The resulting assemblies can be very large and intricate and pose challenges to experimental methods. In the c
Externí odkaz:
http://arxiv.org/abs/2103.07508
Autor:
Leitner, Alexander, Bonvin, Alexandre M. J. J., Borchers, Christoph H., Chalkley, Robert J., Chamot-Rooke, Julia, Combe, Colin W., Cox, Jürgen, Dong, Meng-Qiu, Fischer, Lutz, Götze, Michael, Gozzo, Fabio C., Heck, Albert J. R., Hoopmann, Michael R., Huang, Lan, Ishihama, Yasushi, Jones, Andrew R., Kalisman, Nir, Kohlbacher, Oliver, Mechtler, Karl, Moritz, Robert L., Netz, Eugen, Novak, Petr, Petrotchenko, Evgeniy, Sali, Andrej, Scheltema, Richard A., Schmidt, Carla, Schriemer, David, Sinz, Andrea, Sobott, Frank, Stengel, Florian, Thalassinos, Konstantinos, Urlaub, Henning, Viner, Rosa, Vizcaino, Juan A., Wilkins, Marc R., Rappsilber, Juri
Crosslinking mass spectrometry (Crosslinking MS) has substantially matured as a method over the last two decades through parallel development in multiple labs, demonstrating its applicability for protein structure determination, conformation analysis
Externí odkaz:
http://arxiv.org/abs/2007.00383
In the recent years, therapeutic use of antibodies has seen a huge growth, due to their inherent proprieties and technological advances in the methods used to study and characterize them. Effective design and engineering of antibodies for therapeutic
Externí odkaz:
http://arxiv.org/abs/2005.03283
Autor:
Basciu, Andrea, Koukos, Panagiotis I., Malloci, Giuliano, Bonvin, Alexandre M. J. J., Vargiu, Attilio V.
Publikováno v:
Journal of Computer-Aided Molecular Design 34, 149-162 (2020)
We report the performance of our newly introduced Ensemble Docking with Enhanced sampling of pocket Shape (EDES) protocol coupled to a template-based algorithm to generate near-native ligand conformations in the 2019 iteration of the Grand Challenge
Externí odkaz:
http://arxiv.org/abs/2005.04142
Publikováno v:
In: Structural Bioinformatics. Methods in Molecular Biology, vol 2112. Humana, New York, NY, (2020)
The recent improvements in cryo-electron microscopy (cryo-EM) in the past few years are now allowing to observe molecular complexes at atomic resolution. As a consequence, numerous structures derived from cryo-EM are now available in the Protein Data
Externí odkaz:
http://arxiv.org/abs/2005.00435
Autor:
van Leeuwen, Caspar, Podareanu, Damian, Codreanu, Valeriu, Cai, Maxwell X., Berg, Axel, Zwart, Simon Portegies, Stoffer, Robin, Veerman, Menno, van Heerwaarden, Chiel, Otten, Sydney, Caron, Sascha, Geng, Cunliang, Ambrosetti, Francesco, Bonvin, Alexandre M. J. J.
Traditional simulations on High-Performance Computing (HPC) systems typically involve modeling very large domains and/or very complex equations. HPC systems allow running large models, but limits in performance increase that have become more prominen
Externí odkaz:
http://arxiv.org/abs/2004.03454
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