De Vivo M.; Bottegoni G.; Berteotti A.; Recanatini M.; Gervasio F. L.; Cavalli A., Cyclin-dependent kinases: bridging their structure and function through computations, «FUTURE MEDICINAL CHEMISTRY», 2011, 3, pp. 1551 - 1559 [Scientific article]
Bongarzone S; Tran HN; Cavalli A; Roberti M; Rosini M; Carloni P; Legname G; Bolognesi ML, Hybrid Lipoic Acid Derivatives to Attack Prion Disease on Multiple Fronts, «CHEMMEDCHEM», 2011, 6, pp. 601 - 605 [Scientific article]
Patel J.S.; Branduardi D.; Masetti M.; Rocchia W.; Cavalli A., Insights into Ligand-Protein Binding from Local Mechanical Response, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2011, 7, pp. 3368 - 3378 [Scientific article]
Branduardi D.; De Vivo M.; Rega N.; Barone V.; Cavalli A., Methyl Phosphate Dianion Hydrolysis in Solution Characterized by
Path Collective Variables Coupled with DFT-Based Enhanced
Sampling Simulations, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2011, 7, pp. 539 - 543 [Scientific article]
Chiriano G.; Sartini A.; Mancini F.; Andrisano V.; Bolognesi M. L.; Roberti M.; Recanatini M.; Carloni P.; Cavalli A., Sequential Virtual Screening Approach to the
Identification of Small Organic Molecules as
Potential BACE-1 Inhibitors, «CHEMICAL BIOLOGY & DRUG DESIGN», 2011, 77, pp. 268 - 271 [Scientific article]
Favia A.D.; Bottegoni G.; Nobeli I.; Bisignano P.; Cavalli A., SERAPhiC: A Benchmark for in Silico Fragment-Based Drug Design, «JOURNAL OF CHEMICAL INFORMATION AND MODELING», 2011, 51, pp. 2882 - 2896 [Scientific article]
Favia A.D.; Masetti M.; Recanatini M.; Cavalli A., Substrate Binding Process and Mechanistic Functioning
of Type 1 11beta-Hydroxysteroid Dehydrogenase from
Enhanced Sampling Methods, «PLOS ONE», 2011, 6, pp. e25375 - e25375 [Scientific article]
Bolognesi ML; Chiriano G; Bartolini M; Mancini F; Bottegoni G; Maestri V; Czvitkovich S; Windisch M; Cavalli A; Minarini A; Rosini M; Tumiatti V; Andrisano V; Melchiorre C., Synthesis of Monomeric Derivatives To Probe Memoquin's Bivalent Interactions, «JOURNAL OF MEDICINAL CHEMISTRY», 2011, 54, pp. 8299 - 82304 [Scientific article]
Bottegoni G.; Rocchia W.; Rueda M.; Abgyan R.; Cavalli A, Systematic Exploitation of Multiple Receptor Conformations for Virtual Ligand Screening, «PLOS ONE», 2011, 6, pp. e18845 - e18845 [Scientific article]
Cavalli A., Review of: Book Review to:
"Computational Drug Design: A Guide for Computational and Medicinal Chemists", «CHEMMEDCHEM», 2010, 5, pp. 305 - 306 [Review]
Cavalli A; Lizzi F ; Bongarzone S ; Belluti F; Piazzi L ; Bolognesi ML, Complementary medicinal chemistry-driven strategies toward new antitrypanosomal and antileishmanial lead drug candidates, «FEMS IMMUNOLOGY AND MEDICAL MICROBIOLOGY», 2010, 58, pp. 51 - 60 [Scientific article]
E. Simoni; M. Rosini; C. Bergamini; R. Fato; M.L. Bolognesi; A. Cavalli; R. Motterlini; G. Lenaz; C. Melchiorre, Curcumin analogs as multi-target antioxidants: focus on mitochondria., in: Trekking through receptor chemistry, S. L., s. n., 2010, pp. 108 - 108 (atti di: 28th Camerino-Cyprus-Noordwijkerhout Symposium, Camerino-Italy, May, 16-20, 2010) [Abstract]
Limongelli V.; Bonomi M.; Marinelli L.; Gervasio F. L.; Cavalli A.; Novellino E.; Parrinello M., Molecular basis of cyclooxygenase
enzymes (COXs) selective inhibition, «PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA», 2010, 107, pp. 5411 - 5416 [Scientific article]
SIMONE PIERETTI; LORNA PIAZZI; FEDERICA BELLUTI; ANDREA CAVALLI; MARIA LAURA BOLOGNESI, Multitarget Ligands in the Search for Novel Lead Candidates against Trypanosoma and Leishmania, in: 1st iDDi workshop in Neglected and Orphan Diseases, s.l, s.n, 2010, pp. 42 - 42 (atti di: 1st iDDi workshop in Neglected and Orphan Diseases, Siena, Italy, May, 29th-June 1st 2010) [Abstract]
Saviello M. R.; Malfi S.; Campiglia P.; Cavalli A.; Grieco P.; Novellino E.; Carotenuto A., New Insight into the Mechanism of Action of the Temporin Antimicrobial Peptides, «BIOCHEMISTRY», 2010, 49, pp. 1477 - 1485 [Scientific article]
