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Protein Flexibility and Ligand Recognition: Challenges for Molecular Modeling 1-gen-2011 Spyrakis, Francesca; A., Bidonchanal; X., Barril; F. J., Luque
The multifaceted pyridoxal 5’-phosphate-dependent O-acetylserine sulfhydrylase 1-gen-2011 Mozzarelli, Andrea; Bettati, Stefano; Campanini, Barbara; E., Salsi; Raboni, Samanta; R., Singh; Spyrakis, Francesca; V. P., Kumar; P. F., Cook
Structural analysis in nonsymbiotic hemoglobins: what can we learn from inner cavities? 1-gen-2011 Spyrakis, Francesca; F., Javier Luque; Viappiani, Cristiano
Ligand migration and hexacoordination in type 1 non symbiotic rice hemoglobin 1-gen-2011 Bisht, Nk; Abbruzzetti, Stefania; Uppal, S; Bruno, Stefano; Spyrakis, Francesca; Mozzarelli, Andrea; Viappiani, Cristiano; Kundu, S.
Molecular Dynamics: a tool to understand nuclear receptors 1-gen-2012 Spyrakis, Francesca; X., Barril; F. J., Luque
A new approach for investigating protein flexibility based on Constraint Logic Programming. The first application in the case of the estrogen receptor 1-gen-2012 DAL PALU', Alessandro; Spyrakis, Francesca; Cozzini, Pietro
Molecular Descriptors for Database Mining. Translating Empirical Chemistry into Mathemathics: Tools for QSAR and In Silico Screening based on the Hydrophobicity of Small Molecules 1-gen-2012 Spyrakis, Francesca; Cozzini, Pietro; G. E., Kellogg
Unintended consequences? Water molecules at biological and crystallographic protein–protein interfaces 1-gen-2013 Ahmed, Mh; Habtemariam, M; Safo, Mk; Scarsdale, Jn; Spyrakis, Francesca; Cozzini, Pietro; Mozzarelli, Andrea; Kellogg, Ge
CO rebinding kinetics and molecular dynamics simulations highlight dynamic regulation of internal cavities in human cytoglobin 1-gen-2013 M., Gabba; Abbruzzetti, Stefania; Spyrakis, Francesca; F., Forti; Bruno, Stefano; Mozzarelli, Andrea; F. J., Luque; Viappiani, Cristiano; Cozzini, Pietro; M., Nardini; F., Germani; M., Bolognesi; L., Moens; S., Dewilde
Comparative analysis of inner cavities and ligand migration in non-symbiotic AHb1 and AHb2 1-gen-2013 Spyrakis, Francesca; F., Lucas; A., Bidon Chanal; Viappiani, Cristiano; V., Guallar; F. J., Luque
Serine racemase: a key player in neuron activity and in neuropathologies 1-gen-2013 Campanini, Barbara; Spyrakis, Francesca; Peracchi, Alessio; Mozzarelli, Andrea
Fine tuning of the active site modulates specificity in the interaction of O-acetylserine sulfhydrylase isozymes with serine acetyltransferase 1-gen-2013 Spyrakis, F.; Felici, P.; Bayden, A. S.; Salsi, E.; Miggiano, R.; Kellogg, G. E.; Cozzini, P.; Cook, P. F.; Mozzarelli, A.; Campanini, B.
Fine tuning of the active site modulates in the interaction of O-acetylserine sulfhydryase isozymes with serine acetyl transferase 1-gen-2013 Spyrakis, Francesca; Felici, Paolo; A. S., Bayden; E., Salsi; R., Miggiano; G. E., Kellogg; Cozzini, Pietro; P. F., Cook; Mozzarelli, Andrea; B., Campanini
Isozyme-specific ligands for O-acetylserine sulfhydrylase, a novel antibiotic target 1-gen-2013 Spyrakis, Francesca; Singh, R; Cozzini, Pietro; Campanini, Barbara; Salsi, E; Felici, Paolo; Raboni, Samanta; Benedetti, P; Cruciani, G; Kellogg, Ge; Cook, Pf; Mozzarelli, Andrea
Ligand migration through hemeprotein cavities: insights from laser flash photolysis and molecular dynamics simulations 1-gen-2013 Abbruzzetti, Stefania; Spyrakis, Francesca; A., Bidon Chanal; F. J., Luque; Viappiani, Cristiano
Correct protonation states and relevant waters = better computational simulations? 1-gen-2013 Spyrakis, Francesca; Dellafiora, Luca; Da, C; Kellogg, Ge; Cozzini, Pietro
Thermodynamics of ligand binding to cellular retinol-binding protein type I and II 1-gen-2014 Estarellas, Carolina; Álvarez, David; Spyrakis, Francesca; Cozzini, Pietro; Franzoni, Lorella; Luque, F. Javier; Bidon Chanal, Axel
Targeting Cystalysin, a Virulence Factor of Treponema denticola-Supported Periodontitis. 1-gen-2014 Spyrakis, Francesca; Cellini, B; Bruno, Stefano; Benedetti, P; Carosati, E; Cruciani, G; Micheli, F; Felici, A; Cozzini, Pietro; Kellogg, Ge; Voltattorni, Cb; Mozzarelli, Andrea
FADB: a food additive molecular database for in silico screening in food toxicology. 1-gen-2014 Ginex, Tiziana; Spyrakis, Francesca; Cozzini, Pietro
Structural insights into the interaction of O-acetylserine sulfhydrylase with peptides: lessons from STD-NMR 1-gen-2015 Benoni, Roberto; Pertinhez, Thelma; Spyrakis, Francesca; Davalli, S; Pellegrino, Silvia; Pezzotti, A; Bettati, Stefano; Campanini, Barbara; Mozzarelli, Andrea
Mostrati risultati da 41 a 60 di 71
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