Related Experiment Video
Updated: Oct 23, 2026

A Protocol for Computer-Based Protein Structure and Function Prediction
Published on: November 3, 2011
Computational Biology and Chemistry in MTi: Emphasis on the Prediction of Some ADMET Properties
Maria A Miteva1,2, Bruno O Villoutreix1,2
1Université Paris Diderot, Sorbonne Paris Cité, Molécules ThérapeutiquesIn Silico, Inserm UMR-S 973, 35 rue Helene Brion, 75013, Paris, France.
Abstract:
Our research and teaching group called MTi (Molécules Thérapeutiques in silico) has developed numerous applications available online, thanks to the RPBS platform (Ressource Parisienne en Bioinformatique Structurale), in the field of chemoinformatics, structural bioinformatics and drug design. Since its opening in 2009, over 200 articles/reviews have been reported and involve virtual screening studies, prediction of druggability, analysis of protein-protein interaction inhibitors, development of databases, data mining and knowledge discovery, as well as combined in silico-in vitro work to search for new hits and chemical probes acting on original targets in several therapeutic areas. An international training program has also been developed pertaining to the field of in silico drug design. In this review, we present some tools developed in our laboratory with a special emphasis on the prediction of some ADMET properties, compound collection preparation and 3D-ADMET computations.
More Related Videos
06:50Computational Prediction of Amino Acid Preferences of Potentially Multispecific Peptide-Binding Domains Involved in Protein-Protein Interactions
Published on: January 26, 2024
05:08Application of I TASSER, trRosetta, UCSF Chimera, HADDOCK server, and HEX loria for De Novo and In Silico Design of Proteins
Published on: July 8, 2025
Related Concept Videos
Molecular Models
Predicting Molecular Geometry
Predicting Reaction Outcomes
Olefin Metathesis Polymerization: Acyclic Diene Metathesis (ADMET)
Similar to cross-metathesis, ADMET also involves the formation of metallacyclobutane intermediate by [2+2] cycloaddition of one of the double bonds of a terminal diene with...
Modern Molecular Taxonomy