Alessandro Contini

Background

About Alessandro Contini

2003: PhD in medicinal chemistry at Università degli Studi di Milano 2003-2006: post-doc in organic chemistry at Università degli Studi di Milano 2006-2009: researcher (with tenure) in organic chemistry 2009-2018: senior researcher and aggregate professor of organic chemistry 2018: Associate Professor of Organic Chemistry Skills: sound experience in several aspects of molecular modeling applied to chemical and pharmaceutical sciences sound experience in discovery/design of bioactive molecules sound experience in hardware, software and networks administration experience in organic synthesis and analysis Scientific activity: my current research area lies at the interface between chemistry and biology, where computational methods are applied to gain insights, at an atomistic level, upon the reasons underlying phenomena such as supramolecular interactions, chemical reactions and, more generally, molecular properties of biologically relevant molecules. My main research fields can be resumed as follows-Prediction of protein binders and protein structures by AI -Studies on the modulation of biologically relevant protein-protein interaction by chemical compounds-Studies on the folding behavior of peptides containing non-natural amino acids by using molecular dynamics, REMD and quantum chemical calculations -Structure Activity Relationships (SAR), 3D-QSAR, virtual screening, and interactions between -bioactive molecules and their biological target by mean of docking, molecular mechanics (MM-PBSA/GBSA) and quantum mechanics-Prediction of optical (CD, VCD, OR) and spectroscopic (IR, NMR, UV) properties of organic molecules through quantum chemical calculations -Studies of reaction mechanisms by using quantum-mechanical techniques (ab-initio, DFT, MP2). The scientific activity of Dr. Contini is supported by about 100 articles in peer reviewed journals, a patent application, three book chapters and several communications at national and international congresses