Giovanni Bottegoni
Giovanni Bottegoni
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Role of Molecular Dynamics and Related Methods in Drug Discovery
M De Vivo, M Masetti, G Bottegoni, A Cavalli
Journal of medicinal chemistry 59 (9), 4035-4061, 2016
5632016
A catalytically silent FAAH-1 variant drives anandamide transport in neurons
J Fu, G Bottegoni, O Sasso, R Bertorelli, W Rocchia, M Masetti, A Guijarro, ...
Nature neuroscience 15 (1), 64-69, 2012
1962012
Four-dimensional docking: a fast and accurate account of discrete receptor flexibility in ligand docking
G Bottegoni, I Kufareva, M Totrov, R Abagyan
Journal of medicinal chemistry 52 (2), 397-406, 2008
1902008
Recipes for the selection of experimental protein conformations for virtual screening
M Rueda, G Bottegoni, R Abagyan
Journal of chemical information and modeling 50 (1), 186-193, 2009
1662009
Non-ATP competitive protein kinase inhibitors
L Garuti, M Roberti, G Bottegoni
Current medicinal chemistry 17 (25), 2804-2821, 2010
1442010
Combining Galantamine and Memantine in Multitargeted, New Chemical Entities Potentially Useful in Alzheimer’s Disease
E Simoni, S Daniele, G Bottegoni, D Pizzirani, ML Trincavelli, L Goldoni, ...
Journal of Medicinal Chemistry 55 (22), 9708-9721, 2012
1272012
The role of fragment-based and computational methods in polypharmacology
G Bottegoni, AD Favia, M Recanatini, A Cavalli
Drug discovery today 17 (1), 23-34, 2012
1192012
Consistent improvement of cross-docking results using binding site ensembles generated with elastic network normal modes
M Rueda, G Bottegoni, R Abagyan
Journal of chemical information and modeling 49 (3), 716-725, 2009
1192009
Multitarget Drug Discovery for Alzheimer's Disease: Triazinones as BACE‐1 and GSK‐3β Inhibitors
F Prati, A De Simone, P Bisignano, A Armirotti, M Summa, D Pizzirani, ...
Angewandte Chemie 127 (5), 1598-1602, 2015
1172015
Irreversible Protein Kinase Inhibitors
L Garuti, M Roberti, G Bottegoni
Current medicinal chemistry 18 (20), 2981-2994, 2011
1082011
The ligand binding mechanism to purine nucleoside phosphorylase elucidated via molecular dynamics and machine learning
S Decherchi, A Berteotti, G Bottegoni, W Rocchia, A Cavalli
Nature communications 6, 6155, 2015
1062015
A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE)
G Bottegoni, I Kufareva, M Totrov, R Abagyan
Journal of computer-aided molecular design 22 (5), 311-325, 2008
952008
Dual inhibition of REV-ERBβ and autophagy as a novel pharmacological approach to induce cytotoxicity in cancer cells
C De Mei, L Ercolani, C Parodi, M Veronesi, CL Vecchio, G Bottegoni, ...
Oncogene 34 (20), 2597-2608, 2015
862015
Systematic exploitation of multiple receptor conformations for virtual ligand screening
G Bottegoni, W Rocchia, M Rueda, R Abagyan, A Cavalli
PLoS One 6 (5), e18845, 2011
852011
BACE-1 inhibitors: from recent single-target molecules to multitarget compounds for Alzheimer’s disease
F Prati, G Bottegoni, ML Bolognesi, A Cavalli
Journal of Medicinal Chemistry, 2017
802017
Versatility of the curcumin scaffold: discovery of potent and balanced dual BACE-1 and GSK-3β inhibitors
RMC Di Martino, A De Simone, V Andrisano, P Bisignano, A Bisi, S Gobbi, ...
Journal of medicinal chemistry 59 (2), 531-544, 2016
802016
A computational study of the binding of propidium to the peripheral anionic site of human acetylcholinesterase
A Cavalli, G Bottegoni, C Raco, M De Vivo, M Recanatini
Journal of medicinal chemistry 47 (16), 3991-3999, 2004
782004
Structure of the complement C5a receptor bound to the extra-helical antagonist NDT9513727
N Robertson, M Rappas, AS Doré, J Brown, G Bottegoni, M Koglin, ...
Nature 553 (7686), 111, 2018
762018
Molecular Dynamics Simulations and Kinetic Measurements to Estimate and Predict Protein–Ligand Residence Times
L Mollica, I Theret, M Antoine, F Perron-Sierra, Y Charton, JM Fourquez, ...
Journal of Medicinal Chemistry 59 (15), 7167-7176, 2016
722016
Low molecular weight, non-peptidic agonists of TrkA receptor with NGF-mimetic activity
D Scarpi, D Cirelli, C Matrone, G Castronovo, P Rosini, EG Occhiato, ...
Cell Death & Disease 3 (7), e339, 2012
612012
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