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Journal of Chemical Information and Modeling|July 10, 2023
How to Compute Atomistic Insight in DFT Clusters: The REG-IQA ApproachFabio Falcioni, Paul L A PopelierJournal of Computer-Aided Molecular Design|July 10, 2021
Energy-entropy prediction of octanol-water logP of SAMPL7 N-acyl sulfonamide bioisostersFabio Falcioni, Jas Kalayan, Richard H HenchmanACS Omega|October 2, 2023
Interacting Quantum Atoms and Multipolar Electrostatic Study of XH···π InteractionsLena Triestram, Fabio Falcioni, Paul L A PopelierMolecules (Basel, Switzerland)|March 13, 2024
Probing Non-Covalent Interactions through Molecular Balances: A REG-IQA StudyFabio Falcioni, Sophie Bennett, Pallas Stroer-Jarvis, et al.Physical Chemistry Chemical Physics : PCCP|April 4, 2023
A combined BET and IQA-REG study of the activation energy of non-polar zw-type [3+2] cycloaddition reactionsMar Ríos-Gutiérrez, Fabio Falcioni, Luis R Domingo, et al.ACS Catalysis|May 9, 2024
Arginine Kinase Activates Arginine for Phosphorylation by Pyramidalization and PolarizationFabio Falcioni, Robert W Molt, Yi Jin, et al.Veterinary Microbiology|December 3, 2014
Detection of Equid herpesvirus type 2 and 5 DNA in uterine flushings of mares with reproductive disordersMaria Luisa Marenzoni, Monica Sforna, Valentina Stefanetti, et al.The Journal of Chemical Physics|November 13, 2025
A foundation model for atomistic materials chemistryIlyes Batatia, Philipp Benner, Yuan Chiang, et al.Pageof 1