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Journal of Chemical Information and Modeling|March 19, 2019
Holo-like and Druggable Protein Conformations from Enhanced Sampling of Binding Pocket Volume and ShapeAndrea Basciu, Giuliano Malloci, Fabio Pietrucci, et al.Journal of Computer-Aided Molecular Design|November 14, 2019
Coupling enhanced sampling of the apo-receptor with template-based ligand conformers selection: performance in pose prediction in the D3R Grand Challenge 4Andrea Basciu, Panagiotis I Koukos, Giuliano Malloci, et al.Computational and Structural Biotechnology Journal|January 13, 2022
Molecular rationale for the impairment of the MexAB-OprM efflux pump by a single mutation in MexAPierpaolo Cacciotto, Andrea Basciu, Francesco Oliva, et al.Microbiology (Reading, England)|March 27, 2023
Tripartite efflux pumps of the RND superfamily: what did we learn from computational studies?Mohd Athar, Silvia Gervasoni, Andrea Catte, et al.Journal of Chemical Information and Modeling|February 22, 2024
Machine Learning Integrating Protein Structure, Sequence, and Dynamics to Predict the Enzyme Activity of Bovine Enterokinase VariantsNiccolo Alberto Elia Venanzi, Andrea Basciu, Attilio Vittorio Vargiu, et al.The Journal of Physical Chemistry. B|May 10, 2019
Molecular Interactions of Cephalosporins with the Deep Binding Pocket of the RND Transporter AcrBAlessio Atzori, Giuliano Malloci, Jigneshkumar Dahyabhai Prajapati, et al.International Journal for Parasitology. Parasites and Wildlife|July 21, 2025
Microorganisms in wild European reptiles: bridging gaps in neglected conditions to inform disease ecology researchMatteo Riccardo Di Nicola, Selene Rubiola, Anna Cerullo, et al.Biorxiv : the Preprint Server for Biology|June 19, 2024
Predicting binding events in very flexible, allosteric, multi-domain proteinsAndrea Basciu, Mohd Athar, Han Kurt, et al.Journal of Chemical Information and Modeling|February 5, 2025
Toward the Prediction of Binding Events in Very Flexible, Allosteric, Multidomain ProteinsAndrea Basciu, Mohd Athar, Han Kurt, et al.Pageof 1