Giovanni Bottegoni

发表

The role of fragment-based and computational methods in polypharmacology.

Maurizio Recanatini, Angelo D. Favia, Giovanni Bottegoni, 2012, Drug discovery today.

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

Andrea Spitaleri, Walter Rocchia, Giovanni Bottegoni, 2018, J. Chem. Inf. Model..

Consistent Improvement of Cross-Docking Results Using Binding Site Ensembles Generated with Elastic Network Normal Modes

Ruben Abagyan, Manuel Rueda, Giovanni Bottegoni, 2009, J. Chem. Inf. Model..

Protein-ligand docking.

Giovanni Bottegoni, G. Bottegoni, 2011, Frontiers in bioscience.

Combining Dyad Protonation and Active Site Plasticity in BACE-1 Structure-Based Drug Design

Andrea Cavalli, Giovanni Bottegoni, Matteo Masetti, 2012, J. Chem. Inf. Model..

SERAPhiC: A Benchmark for in Silico Fragment-Based Drug Design

Irene Nobeli, Andrea Cavalli, Paola Bisignano, 2011, J. Chem. Inf. Model..

Computational Methods in Multitarget Drug Discovery

Giovanni Bottegoni, Andrea Cavalli, A. Cavalli, 2017 .

A Comparative Study on the Application of Hierarchical-Agglomerative Clustering Approaches to Organize Outputs of Reiterated Docking Runs

Andrea Cavalli, Maurizio Recanatini, Giovanni Bottegoni, 2006, J. Chem. Inf. Model..

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

Andrea Spitaleri, Walter Rocchia, Giovanni Bottegoni, 2018, J. Chem. Inf. Model..

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

Ruben Abagyan, Maxim Totrov, Irina Kufareva, 2008, J. Comput. Aided Mol. Des..

Recipes for the Selection of Experimental Protein Conformations for Virtual Screening

Ruben Abagyan, Manuel Rueda, Giovanni Bottegoni, 2010, J. Chem. Inf. Model..

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

Vittorio Murino, Diego Sona, Paolo Piro, 2014, Journal of chemical theory and computation.

Application of conformational clustering in protein-ligand docking.

Walter Rocchia, Giovanni Bottegoni, Andrea Cavalli, 2012, Methods in molecular biology.

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

Andrea Cavalli, Maurizio Recanatini, Walter Rocchia, 2006, ISMB.

Structure-Based Predictions of Activity Cliffs

Ruben Abagyan, Andrea Cavalli, Irina Kufareva, 2015, J. Chem. Inf. Model..

In silico antitarget screening.

Maurizio Recanatini, Giovanni Bottegoni, Andrea Cavalli, 2004, Drug discovery today. Technologies.

Combining galantamine and memantine in multitargeted, new chemical entities potentially useful in Alzheimer's disease.

Luca Goldoni, Giovanni Bottegoni, Andrea Cavalli, 2012, Journal of medicinal chemistry.

Development and Application of a Virtual Screening Protocol for the Identification of Multitarget Fragments

Paola Bisignano, Angelo D. Favia, Giovanni Bottegoni, 2016, ChemMedChem.

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

Maria Laura Bolognesi, Giovanni Bottegoni, Andrea Cavalli, 2017, Journal of medicinal chemistry.

Four-dimensional docking: a fast and accurate account of discrete receptor flexibility in ligand docking.

Ruben Abagyan, Maxim Totrov, Irina Kufareva, 2009, Journal of medicinal chemistry.

Design, Synthesis, Structure-Activity Relationship Studies, and Three-Dimensional Quantitative Structure-Activity Relationship (3D-QSAR) Modeling of a Series of O-Biphenyl Carbamates as Dual Modulators of Dopamine D3 Receptor and Fatty Acid Amide Hydrolase.

Andrea Armirotti, Giovanni Bottegoni, Andrea Cavalli, 2017, Journal of medicinal chemistry.

A computational study of the binding of propidium to the peripheral anionic site of human acetylcholinesterase.

Maurizio Recanatini, Giovanni Bottegoni, Andrea Cavalli, 2004, Journal of medicinal chemistry.

Role of phosphorylated Thr160 for the activation of the CDK2/Cyclin A complex

Maurizio Recanatini, Paolo Carloni, Giovanni Bottegoni, 2005, Proteins.

Multitarget drug discovery for Alzheimer's disease: triazinones as BACE-1 and GSK-3β inhibitors.

Andrea Armirotti, Paola Bisignano, Maria Laura Bolognesi, 2015, Angewandte Chemie.