Zobrazeno 1 - 10
of 30
pro vyhledávání: '"B. L. de Groot"'
Autor:
Christian Griesinger, Stefan Becker, Artur Mazur, B. L. de Groot, Ashok K. Rout, Colin A. Smith, Donghan Lee
Publikováno v:
Journal of Biomolecular Nmr
Journal of Biomolecular NMR
Journal of Biomolecular NMR
Nuclear magnetic resonance (NMR) has the unique advantage of elucidating the structure and dynamics of biomolecules in solution at physiological temperatures, where they are in constant movement on timescales from picoseconds to milliseconds. Such mo
Autor:
B. L. de Groot, David L. Mobley, Gary Tresadern, Yuriy Khalak, Hannah Magdalena Baumann, Matteo Aldeghi, Vytautas Gapsys
Publikováno v:
Chemical Science
The recent advances in relative protein–ligand binding free energy calculations have shown the value of alchemical methods in drug discovery. Accurately assessing absolute binding free energies, although highly desired, remains a challenging endeav
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9a6bbfdd845229534faa0443c059071e
https://doi.org/10.26434/chemrxiv-2021-rxxbb
https://doi.org/10.26434/chemrxiv-2021-rxxbb
Publikováno v:
From Protein Structure to Function with Bioinformatics ISBN: 9789402410679
From Protein Structure to Function with Bioinformatics ISBN: 9781402090578
From Protein Structure to Function with Bioinformatics
From protein structure to function with bioinformatics
From Protein Structure to Function with Bioinformatics ISBN: 9781402090578
From Protein Structure to Function with Bioinformatics
From protein structure to function with bioinformatics
Understanding protein function requires detailed knowledge about protein dynamics , i.e. the different conformational states the system can adopt. Despite substantial experimental progress, simulation techniques such as molecular dynamics (MD) curren
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8af07340003b73bbd987abafa6217625
https://doi.org/10.1007/978-94-024-1069-3_12
https://doi.org/10.1007/978-94-024-1069-3_12
Autor:
Marc A. Vos, Bart Kok, Gudrun Antoons, Mjc Houtman, B. L. de Groot, Anna Stary, Tab Van Veen, T Opthof, Jdm Beekman, MB Rook, Marcel A.G. van der Heyden, T. P. De Boer, L Nalos
Publikováno v:
British Journal of Pharmacology. 159:1532-1541
Background and purpose: Pentamidine is a drug used in treatment of protozoal infections. Pentamidine treatment may cause sudden cardiac death by provoking cardiac arrhythmias associated with QTc prolongation and U-wave alterations. This proarrhythmic
Autor:
Dimitrios Fotiadis, Andreas D. Schenk, Per Kjellbom, B. L. de Groot, Thomas Braun, Urban Johanson, Wanda Kukulski, Andreas Engel
Publikováno v:
Journal of Molecular Biology. 350:611-616
SoPIP2;1 is one of the major integral proteins in spinach leaf plasma membranes. In the Xenopus oocyte expression system its water channel activity is regulated by phosphorylation at the C terminus and in the first cytosolic loop. To assess its struc
Autor:
Hervé W. Rémigy, Ansgar Philippsen, Paul J.L. Werten, Helmut Grubmüller, B. L. de Groot, Henning Stahlberg, Dimitrios Fotiadis, Andreas Engel
Publikováno v:
FEBS Letters
Structural information on membrane proteins is sparse, yet they represent an important class of proteins that is encoded by about 30% of all genes. Progress has primarily been achieved with bacterial proteins, but efforts to solve the structure of eu
Publikováno v:
Journal of Molecular Biology
ResearcherID
ResearcherID
A principal component analysis has been applied on equilibrium simulations of a b-heptapeptide that shows reversible folding in a methanol solution. The analysis shows that the configurational space contains only three dense sub-states. These states
Autor:
A. Di Nola, Herman J. C. Berendsen, Maurizio Paci, Marc-Antoine Ceruso, B. L. de Groot, Andrea Amadei
Publikováno v:
Proteins: Structure, Function, and Genetics. 35:283-292
The dynamics of collective protein motions derived from Molecular Dynamics simula- tions have been studied for two small model proteins: initiation factor I and the B1 domain of Protein G. First, we compared the structural fluctuations, ob- tained by
Autor:
Sung-Hou Kim, William A. Eaton, José L. Carrascosa, M. Tuna, Michal Neeman, M. G. Ullmann, A. Di Nola, Dominique Pantaloni, K. Shinzawa-Itoh, H. Kabata, J. H. Lees, G. Venturoli, P. Manikandan, Huub C. P. Driessen, Philippe J. Sansonetti, Kurt Drickamer, C. Peters Libeu, Daniela Pietrobon, Thomas Loisel, E. Pebav-Peyroula, A. Ostermann, J. C. Williams, Louise N. Johnson, David Holowka, Dinakar M. Salunke, M. Montai, G. Spooner, Masao Washizu, R. J. Cogdell, T. Tsukihara, F. Parak, P. J. Munson, Jean-Michel Claverie, I. Qromov, Victor Muñoz, D. Goldfarb, Bruce Cornell, John R. Helliwell, Barry Robson, S. M. Prince, P. Nollert, Anne Imberty, Takashi Kinebuchi, Anna Chiesa, Paulo Magalhaes, Ian J. Tickle, Abani K. Bhuyan, Nobuo Niimura, Ratna S. Phadke, T. Tomizaki, G. U. Nienhaus, V. I. Ivanov, Gouri S. Jas, J. Raul Grigera, Coumaran Egile, N. B. Ulyanov, Lisa J. Lapidus, Kazuhiko Kinosita, Tullio Pozzan, A. D. Beniaminov, S. A. Bondarenko, V. Di Francesco, H. J. C. Berendsen, Osamu Kurosawa, Ian C.P. Smith, Eric R. Henry, Patrick R. D'Silva, E. W. Knapp, Charles R. Cantor, Barbara Baird, Heinz Rüterians, A. Surolia, Ian A. Wilson, M. J. Pandya, Derek N. Woolfson, Dale B. Wigley, Wilma K. Olson, E. Yamashita, Clare Sansom, E. M. Zdobnov, E. Westhof, E. E. Minyat, R. Carmieli, Marisa Brini, J. P. Rosenbusch, Jeremy K. Cockcroft, B. L. de Groot, Sunney I. Chan, Anil K. Lala, M. D. Finucane, Marie-France Carlier, A. Royant, H. Belrhali, James Hofrichter, Manju Bansal, Nobuo Shimamoto, Chih-chen Wang, Rosario Rizzuto, Paolo Pinton, Fariza Ressacl, K. McAuley, B. Bhattacharyya, E. M. Landau, M. J. Fei, C. Shutter, Keiichi Namba, I. Pecht, Wolfgang Junge, M. Paci, J. Garnier, Patrick Chaussepied, R. Nakashima, P. T. Callaghan, Ramen K. Poddar, X. Lin, P. Mathis, Jean Garnier, Valerie Laurent, N. W. Isaacs, Ronald S. Rock, F. Drepper, David S. Moss, Javant Udgaonkar, I. G. Wool, N. Inoue, A. Amadei, T. Shane, Shu-Rong Wang, M. A. Ceruso, K. V. R. Chary, C. C. Correll, K. McLuskey, J. P. Allen, S. Yoshikawa, R. van Grondelle, Stephen J. Hagen
Publikováno v:
Journal of Biosciences. 24:5-31
Publikováno v:
Journal of Molecular Biology. 286:1241-1249
Conformational changes are known to play a crucial role in the function of the bacterial GroE chaperonin system. Here, results are presented from an essential dynamics analysis of known experimental structures and from computer simulations of GroEL u