Sfoglia per Autore
Applicazione dell'analisi statistica a studi di docking e virtual screening condotti su Cdk2
2004 Bottegoni G.; Masetti M.; Cavalli A.; Recanatini M.
QT prolongation through hERG K(+) channel blockade: Current knowledge and strategies for the early prediction during drug development
2005 RECANATINI M.; POLUZZI E.; MASETTI M.; CAVALLI A.; DE PONTI F.
In silico modelling--pharmacophores and hERG channel models
2005 Recanatini M.; Cavalli A.; Masetti M.
Three-dimensional model of the human aromatase enzyme and density functional parameterization of the iron-containing protoporphyrin IX for a molecular dynamics study of heme-cysteinato cytochromes.
2006 Favia A. D.; Cavalli A.; Masetti M.; Carotti A.; Recanatini M.
La metadinamica nello studio dell'energia libera di complessi recettoriali binari
2006 Masetti M.; Gervasio F. L.; Cavalli A.; Recanatini M.; Parrinello M.
Density Functional Studies on the Nazarov Reaction Involving Cyclic Systems.
2006 Cavalli A.; Masetti M.; Recanatini M.; Prandi C.; Guarna A.; Occhiato E.G.
Kinetic and Thermochemical Study of the Antioxidant Activity of Sulfur- Containing Analogues of Vitamin E
2007 R. Amorati; A. Cavalli; M. G. Fumo; M. Masetti; S. Menichetti; C. Pagliuca; G.F. Pedulli; C. Viglianisi
Applications of metadynamics to protein-ligand docking
2008 A. Cavalli; M. Masetti; M. Recanatini; F.L. Gervasio
Modeling hERG and its interactions with drugs: recent advances in light of current potassium channel simulations
2008 Recanatini M.; Cavalli A.; Masetti M.
Modeling the hERG potassium channel in a phospholipid bilayer: Molecular dynamics and drug docking studies
2008 Masetti M.; Cavalli A.; Recanatini M.
Exploring complex protein-ligand recognition mechanisms with coarse metadynamics
2009 Masetti M.; Cavalli A.; Recanatini M.; Gervasio F. L.
An Advanced Multiple Receptor Conformations Virtual Ligand Screening Protocol for the Identification of Novel BACE-1 Inhibitors
2011 Kacker, Puneet; Masetti, Matteo; De Simone, Angela; Bottegoni, Giovanni; Cavalli, Andrea
Insights into Ligand-Protein Binding from Local Mechanical Response
2011 Patel J.S.; Branduardi D.; Masetti M.; Rocchia W.; Cavalli A.
Substrate Binding Process and Mechanistic Functioning of Type 1 11beta-Hydroxysteroid Dehydrogenase from Enhanced Sampling Methods
2011 Favia A.D.; Masetti M.; Recanatini M.; Cavalli A.
Covalent Inhibitors of Fatty Acid Amide Hydrolase: A Rationale for the Activity of Piperidine and Piperazine Aryl Ureas
2011 Palermo G.; Branduardi D.; Masetti M.; Lodola A.; Mor M.; Piomelli D.; Cavalli A.; De Vivo M.
Identification of Novel BACE-1 Inhibitors through an Advanced Structure-Based Virtual Screening Protocol.
2012 Kacker, Puneet; De Simone, Angela; Masetti, Matteo; Bottegoni, Giovanni; Andrisano, Vincenza; Cavalli, Andrea
A catalytically silent FAAH-1 variant drives anandamide transport in neurons.
2012 Fu J.; Bottegoni G.; Sasso O.; Bertorelli R.; Rocchia W.; Masetti M.; Guijarro A.; Lodola A.; Armirotti A.; Garau G.; Bandiera T.; Reggiani A.; Mor M.; Cavalli A.; Piomelli D.
Theoretical Insights into the Mechanism of Carbon Monoxide (CO) Release from CO-Releasing Molecules
2012 Vummaleti S.V.C.; Branduardi D.; Masetti M.; De Vivo M.; Motterlini R.; Cavalli A.
Ion Conduction through the hERG Potassium Channel
2012 Ceccarini L.; Masetti M.; Cavalli A.; Recanatini M.
Combining Dyad Protonation and Active Site Plasticity in BACE-1 Structure-Based Drug Design
2012 Kacker P.; Masetti M.; Mangold M.; Bottegoni G.; Cavalli A.
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