Simone Albani

Publication Activity (10 Years)

Years Active: 2021-2023
Publications (10 Years): 5

Top Topics

Molecular Dynamics Simulations

Protein Protein

Crystal Structure

Anti Inflammatory

Top Venues

Molecules (Basel, Switzerland)

Journal of chemical information and modeling

International journal of molecular sciences

This page only lists publications with an associated author ORCID identifier.

Publications

Simone Albani, Elisa Costanzi, Gia Linh Hoang, Maria Kuzikov, Marcus Frings, Narjes Ansari, Nicola Demitri, Toan The Nguyen, Valerio Rizzi, Jörg B Schulz, Carsten Bolm, Andrea Zaliani, Paolo Carloni, Paola Storici, Sybille Krauß
Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. Journal of chemical information and modeling (2023)
Simone Albani, Ivan Polsinelli, Luca Mazzei, Francesco Musiani, Stefano Benini
Determination and Kinetic Characterization of a New Potential Inhibitor for AmsI Protein Tyrosine Phosphatase from the Apple Pathogen Erwinia amylovora . Molecules (Basel, Switzerland) 28 (23) (2023)
Lisbeth R Kjølbye, Gilberto P Pereira, Alessio Bartocci, Martina Pannuzzo, Simone Albani, Alessandro Marchetto, Brian Jiménez-García, Juliette Martin, Sybille Krauß, Marco Cecchini, Sangwook Wu, Luca Monticelli, Paulo Cesar Telles de Souza
Towards design of drugs and delivery systems with the Martini coarse-grained model. QRB discovery 3 (2022)
Elisa Costanzi, Maria Kuzikov, Francesca Esposito, Simone Albani, Nicola Demitri, Barbara Giabbai, Marianna Camasta, Enzo Tramontano, Sybille Krauß, Andrea Zaliani, Paola Storici
Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L. International journal of molecular sciences 22 (21) (2021)
Candida Manelfi, Jonas Gossen, Silvia Gervasoni, Carmine Talarico, Simone Albani, Benjamin Joseph Philipp, Francesco Musiani, Vistoli Giulio, Sybille Krauß, Andrea Rosario Beccari, Alessandro Pedretti
Combining Different Docking Engines and Consensus Strategies to Design and Validate Optimized Virtual Screening Protocols for the SARS-CoV-2 3CL Protease. Molecules (Basel, Switzerland) 26 (4) (2021)