Giovanni Bottegoni

14 papers Journal 13Unranked 1
YearRankTypeTitle / Venue / Authors
2025 J jnl
Adiabatic-Bias Molecular Dynamics Simulations Reveal the Impact of Mutations on Muscarinic Antagonist Unbinding Kinetics.
J. Chem. Inf. Model.
Adriana Coricello, Anna Lisa Chiaravalle, Maria Musgaard, Benjamin Gerald Tehan, Gian Marco Elisi, Giovanni Bottegoni
2025 J jnl
Application of Deep Learning to Predict the Persistence, Bioaccumulation, and Toxicity of Pharmaceuticals.
J. Chem. Inf. Model.
Dominga Evangelista, Elliot Nelson, Rachael Skyner, Ben Tehan, Mattia Bernetti, Marinella Roberti, Maria Laura Bolognesi, Giovanni Bottegoni
2025 J jnl
From In Silico to In Vitro: Evaluating Molecule Generative Models for Hit Generation.
CoRR
Nagham Osman, Vittorio Lembo, Giovanni Bottegoni, Laura Toni
2024 J jnl
Comparative Study of Allosteric GPCR Binding Sites and Their Ligandability Potential.
J. Chem. Inf. Model.
Sonja Peter, Lydia Siragusa, Morgan C. Thomas, Tommaso Palomba, Simon Cross, Noel M. O'Boyle, Dávid Bajusz, György G. Ferenczy, György M. Keserü, Giovanni Bottegoni, Brian Joseph Bender, I-Jen Chen, Chris de Graaf
2018 J jnl
Addendum to BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery.
J. Chem. Inf. Model.
Sergio Decherchi, Giovanni Bottegoni, Andrea Spitaleri, Walter Rocchia, Andrea Cavalli
2018 J jnl
BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery.
J. Chem. Inf. Model.
Sergio Decherchi, Giovanni Bottegoni, Andrea Spitaleri, Walter Rocchia, Andrea Cavalli
2015 J jnl
Structure-Based Predictions of Activity Cliffs.
J. Chem. Inf. Model.
Jarmila Husby, Giovanni Bottegoni, Irina Kufareva, Ruben Abagyan, Andrea Cavalli
2012 J jnl
Combining Dyad Protonation and Active Site Plasticity in BACE-1 Structure-Based Drug Design.
J. Chem. Inf. Model.
Puneet Kacker, Matteo Masetti, Martina Mangold, Giovanni Bottegoni, Andrea Cavalli
2011 J jnl
SERAPhiC: A Benchmark for in Silico Fragment-Based Drug Design.
J. Chem. Inf. Model.
Angelo D. Favia, Giovanni Bottegoni, Irene Nobeli, Paola Bisignano, Andrea Cavalli
2010 J jnl
Recipes for the Selection of Experimental Protein Conformations for Virtual Screening.
J. Chem. Inf. Model.
Manuel Rueda, Giovanni Bottegoni, Ruben Abagyan
2009 J jnl
Consistent Improvement of Cross-Docking Results Using Binding Site Ensembles Generated with Elastic Network Normal Modes.
J. Chem. Inf. Model.
Manuel Rueda, Giovanni Bottegoni, Ruben Abagyan
2008 J jnl
A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE).
J. Comput. Aided Mol. Des.
Giovanni Bottegoni, Irina Kufareva, Maxim Totrov, Ruben Abagyan
2006 J jnl
A Comparative Study on the Application of Hierarchical-Agglomerative Clustering Approaches to Organize Outputs of Reiterated Docking Runs.
J. Chem. Inf. Model.
Giovanni Bottegoni, Andrea Cavalli, Maurizio Recanatini
2006 — conf
AClAP, Autonomous hierarchical agglomerative Cluster Analysis based protocol to partition conformational datasets.
ISMB (Supplement of Bioinformatics)
Giovanni Bottegoni, Walter Rocchia, Maurizio Recanatini, Andrea Cavalli