Sfoglia per Autore
From nonsteroidal aromatase inhibitors to multifunctional drug candidates: classic and innovative strategies for the treatment of breast cancer.
2008 Gobbi S.; Cavalli A.; Bisi A.; Recanatini M.
Multi-target-Directed Ligands To Combat Neurodegenerative Diseases
2008 A. Cavalli; M. L. Bolognesi; A. Minarini; M.Rosini; V. Tumiatti; M. Recanatini; C. Melchiorre
Modeling the hERG potassium channel in a phospholipid bilayer: Molecular dynamics and drug docking studies
2008 Masetti M.; Cavalli A.; Recanatini M.
Predicting reactivity and stereoselectivity in the Nazarov reaction: A combined computational and experimental study
2008 Cavalli A.; Pacetti A.; Recanatini M.; Prandi C.; Scarpi D.; Occhiato E.G.
Inhibition of Acetylcholinesterase, Beta-Amyloid Aggregation, and NMDA Receptors in Alzheimer's Disease: A Promising Direction for the Multi-target-Directed Ligands Gold Rush
2008 M. Rosini; E. Simoni; M. Bartolini; A. Cavalli; L. Ceccarini; N. Pascu; D. W. McClymont; A. Tarozzi; M. L. Bolognesi; A. Minarini; V. Tumiatti; V. Andrisano; I. R. Mellor; C. Melchiorre
Structure-Activity Relationships of Acetylcholinesterase Noncovalent Inhibitors Based on a Polyamine Backbone. 4. Futher Investigation on the Inner Spacer.
2008 V. Tumiatti; A. Milelli; A. Minarini; M. Rosini; M. L. Bolognesi; M. Micco; V. Andrisano; M. Bartolini; F. Mancini; M. Recanatini; A. Cavalli; C. Melchiorre
Docking ligands on protein surfaces: the case study of prion protein.
2009 Kranjc A.; Bongarzone S.; Rossetti G.; Biarnes X.; Cavalli A.; Bolognesi M. L.; Roberti M.; Legname G.; Carloni P.
Exploring complex protein-ligand recognition mechanisms with coarse metadynamics
2009 Masetti M.; Cavalli A.; Recanatini M.; Gervasio F. L.
Innovative computational approaches to the discovery of novel lead candidates
2009 Cavalli A.
Design, synthesis, and evaluation of benzophenone derivatives as novel acetylcholinesterase inhibitors
2009 F. Belluti; L. Piazzi; A. Bisi; S. Gobbi; M. Bartolini; A. Cavalli; P. Valenti; A. Rampa
Toward a rational design of multitarget-directed antioxidants: merging memoquin and lipoic acid molecular frameworks
2009 Bolognesi ML; Cavalli A; Bergamini C; Fato R; Lenaz G; Rosini M; Bartolini M; Andrisano V; Melchiorre C.
Organic compounds useful for the treatment of neurodegenerative diseases, uses and methods for the preparation thereof
2009 M.L. Bolognesi; A. Cavalli; M. Recanatini; C. Melchiorre
Preparation of 2,5-bis-diamine-[1,4]benzoquinone derivatives for the treatment of Alzheimer's disease and a process for their preparation and intermediates thereof.
2009 Andrisano V.; Bartolini M.; Bolognesi M.L.; Cavalli A.; Melchiorre C.; Recanatini M.
Privileged structure-guided synthesis of quinazoline derivatives as inhibitors of trypanothione reductase
2009 Cavalli A; Lizzi F; Bongarzone S; Brun R; Luise Krauth-Siegel R; Bolognesi ML
Bifunctional Catalysis by Natural Cinchona Alkaloids: A Mechanism Explained
2009 Cucinotta C.S.; Kosa M.; Melchiorre P.; Cavalli A.; Gervasio F.L.
Insights into docking and scoring neuronal alpha4beta2 nicotinic receptor agonists using molecular dynamics simulations and QM/MM calculations.
2009 J. Sgrignani; C. Bonaccini; G. Grazioso; M. Chioccioli; A. Cavalli; P. Gratteri
Protein conformational transitions: the closure mechanism of a kinase explored by atomistic simulations
2009 Berteotti A.; Cavalli A.; Branduardi D.; Gervasio F. L.; Recanatini M.; Parrinello M.
Structure-Activity Relationships and Binding Mode in the Human Acetylcholinesterase Active Site of Pseudo-Irreversible Inhibitors Related to Xanthostigmine
2009 S. Rizzo; A. Cavalli; L. Ceccarini; M. Bartolini; F. Belluti; A. Bisi; V. Andrisano; M. Recanatini; A. Rampa
Memoquin: a multi-target-directed ligand as an innovative therapeutic opportunity for Alzheimer's disease
2009 Bolognesi ML; Cavalli A; Melchiorre C.
Common Mechanistic Features among Metallo-beta-lactamases A COMPUTATIONAL STUDY OF AEROMONAS HYDROPHILA CphA ENZYME
2009 Simona F.; Magistrato A.; Dal Peraro M.; Cavalli A.; Villa A.J.; Carloni P.
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