Welcome!


We are the Computational Medicinal Chemistry Group led by Maurizio Recanatini at the Department of Pharmacy and Biotechnology (FaBiT), University of Bologna, Italy.

Our research is focused on the application and development of various in silico tools, mainly based on computational chemistry/biology and network science, with the aim of rationalizing and predicting the properties and characteristics of molecular systems of pharmaceutical interest.

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Research Themes

  • Application and development of simulation methods based on Molecular Dynamics: our research group has a consolidated experience in the use of advanced simulation methods, both atomistic and multiscale, and enhanced sampling.
  • Docking and Virtual-Screening Studies: our research group routinely uses Docking and Virtual Screening methods to accelerate the process of identifying and developing bioactive molecules.
  • Analysis of interaction networks for the study and identification of new targets and new biologically active compounds: a new line of research is focused on the use of Network Science for the prediction of ligand-target associations and the study of target systems

Lab Members

Maurizio Recanatini, Full Professor (PI)
Andrea Cavalli, Full Professor
Matteo Masetti, Associate Professor
Federico Falchi, Senior Assistant Professor
Riccardo Ocello, IIT Collaborator
Mattia Bernetti, IIT Collaborator
Luca Menestrina, PhD Candidate
Stefano Bosio, PhD Student
Veronica Bresciani, PhD Student
Riccardo Aguti, PhD Student

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