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Prodotti della tipologia (ordinati per Data di deposito in Decrescente ordine): 6.521 a 6.540 di 23.734

Molecular Dynamics Simulations and Kinetic Measurements to Estimate and Predict Protein-Ligand Residence Times

2016 Mollica, L; Theret, I; Antoine, M; Perron-Sierra, F; Charton, Y; Fourquez, Jm; Wierzbicki, M; Boutin, Ja; Ferry, G; Decherchi, S; Bottegoni, G; Ducrot, P; Cavalli, A

Cyclin-dependent kinases: bridging their structure and function through computations

2011 De Vivo, M; Bottegoni, G; Berteotti, A; Recanatini, M; Gervasio, Fl; Cavalli, A

Pyrazole-Based Acid Ceramidase Inhibitors: Design, Synthesis, and Structure-Activity Relationships

2016 Diamanti, E; Bottegoni, G; Goldoni, L; Realini, N; Pagliuca, C; Bertozzi, F; Piomelli, D; Pizzirani, D

Computational Methods in the Discovery and Design of BACE-1 Inhibitors

2012 Kacker, P; Bottegoni, G; Cavalli, A

Role of Molecular Dynamics and Related Methods in Drug Discovery

2016 DE VIVO, Marco; Masetti, Matteo; Bottegoni, Giovanni; Cavalli, Andrea

Aryl and heteroaryl N-[4-[4-(2,3-substituted-phenyl)piperazine-1-yl]alkyl] carbamates with improved physico-chemical properties as dual modulators of dopamine D3 receptor and fatty acid amide hydrolase

2016 Micoli, A; De Simone, A; Russo, D; Ottonello, G; Colombano, G; Ruda, Gf; Bandiera, T; Cavalli, A; Bottegoni, G

A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE)

2008 Bottegoni, G; Kufareva, I; Totrov, M; Abagyan, R

Discovery of a New Class of Highly Potent Inhibitors of Acid Ceramidase: Synthesis and Structure-Activity Relationship (SAR)

2013 Pizzirani, D; Pagliuca, C; Realini, N; Branduardi, D; Bottegoni, G; Mor, M; Bertozzi, F; Scarpelli, R; Piomelli, D; Bandiera, T

Structure of the complement C5a receptor bound to the extra-helical antagonist NDT9513727

2018 Robertson, N; Rappas, M; Dore, As; Brown, J; Bottegoni, G; Koglin, M; Cansfield, J; Jazayeri, A; Cooke, Rm; Marshall, Fh

Describing the Conformational Landscape of Small Organic Molecules through Gaussian Mixtures in Dihedral Space

2014 Pisani, P; Piro, P; Decherchi, S; Bottegoni, G; Sona, D; Murino, V; Rocchia, W; Cavalli, A

Diaryl Urea: A Privileged Structure in Anticancer Agents

2016 Garuti, Laura; Roberti, Marinella; Ferraro, Mariarosaria; Bottegoni, Giovanni

AClAP, Autonomous hierarchical agglomerative Cluster Analysis based protocol to partition conformational datasets

2006 Bottegoni, G.; Rocchia, W.; Recanatini, M.; Cavalli, A.

Anandamide transport inhibition by ARN272 attenuates nausea-induced behaviour in rats, and vomiting in shrews (Suncus murinus)

2013 O'Brien, L. D.; Limebeer, C. L.; Rock, E. M.; Bottegoni, G; Piomelli, D.; Parker, L. A.

Synthesis, Biological Evaluation, and 3D QSAR Study of 2-Methyl-4oxo-3-oxetanylcarbamic Acid Esters as N-Acylethanolamine Acid Amidase (NAAA) Inhibitors

2014 Ponzano, S; Berteotti, A; Petracca, R; Vitale, R; Mengatto, L; Bandiera, T; Cavalli, A; Piomelli, D; Bertozzi, F; Bottegoni, G

BACE-1 Inhibitors: From Recent Single-Target Molecules to Multitarget Compounds for Alzheimer's Disease

2018 Prati, F; Bottegoni, G; Bolognesi, Ml; Cavalli, A

A comparative study on the application of hierarchical-agglomerative clustering approaches to organize outputs of reiterated docking runs

2006 Bottegoni, G.; Cavalli, A.; Recanatini, M.

A Computational Study of the Binding of Propidium to the Peripheral Anionic Site of Human Acetylcholinesterase

2004 Cavalli, A.; Bottegoni, G.; Raco, C.; DE VIVO, M.; Recanatini, M.

BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery

2018 Decherchi, S; Bottegoni, G; Spitaleri, A; Rocchia, W; Cavalli, A

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

Benzophenone-based derivatives: a novel series of potent and selective dual inhibitors of acetylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation

2011 Belluti, F; Bartolini, M; Bottegoni, G; Bisi, A; Cavalli, A; Andrisano, V; Rampa, A

Titolo	Data di pubblicazione	Autore(i)
Molecular Dynamics Simulations and Kinetic Measurements to Estimate and Predict Protein-Ligand Residence Times	1-gen-2016	Mollica, L; Theret, I; Antoine, M; Perron-Sierra, F; Charton, Y; Fourquez, Jm; Wierzbicki, M; Boutin, Ja; Ferry, G; Decherchi, S; Bottegoni, G; Ducrot, P; Cavalli, A
Cyclin-dependent kinases: bridging their structure and function through computations	1-gen-2011	De Vivo, M; Bottegoni, G; Berteotti, A; Recanatini, M; Gervasio, Fl; Cavalli, A
Pyrazole-Based Acid Ceramidase Inhibitors: Design, Synthesis, and Structure-Activity Relationships	1-gen-2016	Diamanti, E; Bottegoni, G; Goldoni, L; Realini, N; Pagliuca, C; Bertozzi, F; Piomelli, D; Pizzirani, D
Computational Methods in the Discovery and Design of BACE-1 Inhibitors	1-gen-2012	Kacker, P; Bottegoni, G; Cavalli, A
Role of Molecular Dynamics and Related Methods in Drug Discovery	1-gen-2016	DE VIVO, Marco; Masetti, Matteo; Bottegoni, Giovanni; Cavalli, Andrea
Aryl and heteroaryl N-[4-[4-(2,3-substituted-phenyl)piperazine-1-yl]alkyl] carbamates with improved physico-chemical properties as dual modulators of dopamine D3 receptor and fatty acid amide hydrolase	1-gen-2016	Micoli, A; De Simone, A; Russo, D; Ottonello, G; Colombano, G; Ruda, Gf; Bandiera, T; Cavalli, A; Bottegoni, G
A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE)	1-gen-2008	Bottegoni, G; Kufareva, I; Totrov, M; Abagyan, R
Discovery of a New Class of Highly Potent Inhibitors of Acid Ceramidase: Synthesis and Structure-Activity Relationship (SAR)	1-gen-2013	Pizzirani, D; Pagliuca, C; Realini, N; Branduardi, D; Bottegoni, G; Mor, M; Bertozzi, F; Scarpelli, R; Piomelli, D; Bandiera, T
Structure of the complement C5a receptor bound to the extra-helical antagonist NDT9513727	1-gen-2018	Robertson, N; Rappas, M; Dore, As; Brown, J; Bottegoni, G; Koglin, M; Cansfield, J; Jazayeri, A; Cooke, Rm; Marshall, Fh
Describing the Conformational Landscape of Small Organic Molecules through Gaussian Mixtures in Dihedral Space	1-gen-2014	Pisani, P; Piro, P; Decherchi, S; Bottegoni, G; Sona, D; Murino, V; Rocchia, W; Cavalli, A
Diaryl Urea: A Privileged Structure in Anticancer Agents	1-gen-2016	Garuti, Laura; Roberti, Marinella; Ferraro, Mariarosaria; Bottegoni, Giovanni
AClAP, Autonomous hierarchical agglomerative Cluster Analysis based protocol to partition conformational datasets	1-gen-2006	Bottegoni, G.; Rocchia, W.; Recanatini, M.; Cavalli, A.
Anandamide transport inhibition by ARN272 attenuates nausea-induced behaviour in rats, and vomiting in shrews (Suncus murinus)	1-gen-2013	O'Brien, L. D.; Limebeer, C. L.; Rock, E. M.; Bottegoni, G; Piomelli, D.; Parker, L. A.
Synthesis, Biological Evaluation, and 3D QSAR Study of 2-Methyl-4oxo-3-oxetanylcarbamic Acid Esters as N-Acylethanolamine Acid Amidase (NAAA) Inhibitors	1-gen-2014	Ponzano, S; Berteotti, A; Petracca, R; Vitale, R; Mengatto, L; Bandiera, T; Cavalli, A; Piomelli, D; Bertozzi, F; Bottegoni, G
BACE-1 Inhibitors: From Recent Single-Target Molecules to Multitarget Compounds for Alzheimer's Disease	1-gen-2018	Prati, F; Bottegoni, G; Bolognesi, Ml; Cavalli, A
A comparative study on the application of hierarchical-agglomerative clustering approaches to organize outputs of reiterated docking runs	1-gen-2006	Bottegoni, G.; Cavalli, A.; Recanatini, M.
A Computational Study of the Binding of Propidium to the Peripheral Anionic Site of Human Acetylcholinesterase	1-gen-2004	Cavalli, A.; Bottegoni, G.; Raco, C.; DE VIVO, M.; Recanatini, M.
BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery	1-gen-2018	Decherchi, S; Bottegoni, G; Spitaleri, A; Rocchia, W; Cavalli, A
A catalytically silent FAAH-1 variant drives anandamide transport in neurons	1-gen-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
Benzophenone-based derivatives: a novel series of potent and selective dual inhibitors of acetylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation	1-gen-2011	Belluti, F; Bartolini, M; Bottegoni, G; Bisi, A; Cavalli, A; Andrisano, V; Rampa, A

Prodotti della tipologia (ordinati per Data di deposito in Decrescente ordine): 6.521 a 6.540 di 23.734

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