Sfoglia per Autore
Bivalent tacrine-based acetylcholinesterase inhibitors: role of the spacer in the recognition process of the enzyme gorge
2005 Bolognesi M.L.; Bartolini M.; Cavalli A.; Rosini M.; Andrisano V.; Melchiorre C.
The role of the peripheral anionic site and cation-pi interaction in the ligand penetration of the human AChE gorge
2005 Branduardi D.; Gervasio F. L.; Cavalli A.; Recanatini M.; Parrinello M.
Cholinesterase inhibitors: xanthostigmine derivatives blocking the acetylcholinesterase-induced beta-amyloid aggregation.
2005 Belluti F.; Rampa A.; Piazzi L.; Bisi A.; Gobbi S.; Bartolini M.; Andrisano V.; Cavalli A.; Recanatini M.; Valenti P.
Computational approaches to the study of dual-site and peripheral site binding ache inhibitors
2005 Recanatini M.; Cavalli A.; Bottegoni G.
The role of the peripheral anionic site and cation-pi interactions in the ligand penetration of the human AChE gorge.
2005 Branduardi D.; Gervasio F.L.; Cavalli A.; Recanatini M.; Parrinello 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.
Conformational plasticity of kinase: molecular dynamics simulation of the conformational changes in the activation of Cdk5
2006 Cavalli A.; Berteotti A.; Branduardi D.; Gervasio F. L.; Recanatini M.; Parrinello M.
Conformational plasticity of kinases: molecular dynamics simulation of the conformational changes in the activation loop and the PSSARLE helix of Cdk5
2006 Berteotti A.; Cavalli A.; Branduardi D.; Gervasio F. L.; Recanatini M.; Parrinello M.
Lead optimization providing a series of flavone derivatives as potent nonsteroidal inhibitors of the cytochrome P450 aromatase enzyme
2006 Gobbi S.; Cavalli A.; Rampa A.; Belluti F.; Piazzi L.; Paluszcak A.; Hartmann R.W.; Recanatini M.; Bisi A.
Un modello di soluto polarizzabile per migliorare la procedura di stima delle cariche parziali
2006 Rocchia W.; Masetti M.; Cavalli A.
La metadinamica nello studio dell'energia libera di complessi recettoriali binari
2006 Masetti M.; Gervasio F. L.; Cavalli A.; Recanatini M.; Parrinello M.
Induced fit modeling nella beta-idrossiacil-ACP deidratasi (FabZ) di Plasmodium falciparum
2006 Colizzi F.; Perozzo R.; Scapozza L.; Cavalli A.; Recanatini M.
Trypanothione reductase inhibitors as lead candidates to treat trypanosomatid diseases: recent advances and outlooks
2006 M.L. Bolognesi; A. Cavalli
Natural Cinchona Alkaloids as Organocatalytic Asymmetric Conjugate Addition of 1,3-Dicarbonyl Compounds to Maleimides
2006 P. Melchiorre; A. Carlone; A. Cavalli; P. Ricci; L. Sambri; G. Bartoli
Role of phosphorylated Thr160 for the activation of the CDK2/Cyclin A complex
2006 De Vivo M.; Cavalli A.; Bottegoni G.; Carloni P.; Recanatini M.
AClAP, Autonomous hierarchical agglomerative Cluster Analysis based protocol to partition conformational datasets
2006 Bottegoni G.; Rocchia W.; Recanatini M.; Cavalli A.
Essential dynamics and metadynamics studies of the conformational changes in the activation loop and PSSARLE of Cdk5
2006 Berteotti A.; Cavalli A.; Branduardi D.; Gervasio F. L.; Recanatini M.; Parrinello M.
Multitarget-directed drug design strategy: a novel molecule designed to block epidermal growth factor receptor (EGFR) and to exert proapoptotic effects
2006 A. Antonello; A. Tarozzi; F. Morroni; A. Cavalli; M. Rosini; P. Hrelia; M.L. Bolognesi; C. Melchiorre.
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.
Target-related applications of first principles quantum chemical methods in drug design
2006 Cavalli A.; Carloni P.; Recanatini M.
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