Artigos com autorizações de acesso público - Simone FulleSaiba mais
1 artigo não disponível publicamente
Reranking docking poses using molecular simulations and approximate free energy methods
G Lauro, N Ferruz, S Fulle, MJ Harvey, PW Finn, G De Fabritiis
Journal of chemical information and modeling 54 (8), 2185-2189, 2014
Autorizações: Government of Spain, Government of Italy
11 artigos disponíveis publicamente
Molecular recognition of RNA: challenges for modelling interactions and plasticity
S Fulle, H Gohlke
Journal of Molecular Recognition: An Interdisciplinary Journal 23 (2), 220-231, 2010
Autorizações: German Research Foundation
Statics of the ribosomal exit tunnel: implications for cotranslational peptide folding, elongation regulation, and antibiotics binding
S Fulle, H Gohlke
Journal of Molecular Biology 387 (2), 502-517, 2009
Autorizações: German Research Foundation
Analyzing the flexibility of RNA structures by constraint counting
S Fulle, H Gohlke
Biophysical journal 94 (11), 4202-4219, 2008
Autorizações: German Research Foundation
Putative histidine kinase inhibitors with antibacterial effect against multi-drug resistant clinical isolates identified by in vitro and in silico screens
N Velikova, S Fulle, AS Manso, M Mechkarska, P Finn, JM Conlon, ...
Scientific reports 6 (1), 26085, 2016
Autorizações: European Commission, Government of Spain
HIV-1 TAR RNA spontaneously undergoes relevant apo-to-holo conformational transitions in molecular dynamics and constrained geometrical simulations
S Fulle, NA Christ, E Kestner, H Gohlke
Journal of chemical information and modeling 50 (8), 1489-1501, 2010
Autorizações: German Research Foundation
Constraint counting on RNA structures: Linking flexibility and function
S Fulle, H Gohlke
Methods 49 (2), 181-188, 2009
Autorizações: German Research Foundation
Failure of the IDA in FRET Systems at Close Inter-Dye Distances Is Moderated by Frequent Low κ2 Values
JD Spiegel, S Fulle, M Kleinschmidt, H Gohlke, CM Marian
The Journal of Physical Chemistry B 120 (34), 8845-8862, 2016
Autorizações: German Research Foundation
Modeling conformational flexibility of kinases in inactive states
D Schwarz, B Merget, C Deane, S Fulle
Proteins: Structure, Function, and Bioinformatics 87 (11), 943-951, 2019
Autorizações: UK Engineering and Physical Sciences Research Council
Molecular representations in machine-learning-based prediction of pk parameters for insulin analogs
KA Einarson, KM Bendtsen, K Li, M Thomsen, NR Kristensen, O Winther, ...
ACS omega 8 (26), 23566-23578, 2023
Autorizações: Innovation Fund Denmark
11th German Conference on Chemoinformatics (GCC 2015)
U Fechner, C de Graaf, AE Torda, S Güssregen, A Evers, H Matter, ...
Journal of cheminformatics 8 (1), 1-27, 2016
Autorizações: Austrian Science Fund
Mapping targetable sites on the human surfaceome for the design of novel binders
PEM Balbi, A Sadek, A Marchand, TY Yu, J Damjanovic, S Georgeon, ...
bioRxiv, 2024.12. 16.628626, 2024
Autorizações: Agence Nationale de la Recherche
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