Related Experiment Video
Updated: Aug 18, 2026

NMR-Based Fragment Screening in a Minimum Sample but Maximum Automation Mode
Published on: June 4, 2021
Fragment Molecular Orbital Drug Design Consortium (FMODD): Bridging Academia and Industry Through Prospective
Alexander Heifetz1, Kaori Fukuzawa2
1Sygnature Discovery, BioCity Nottingham, Nottingham, UK. alexander.heifetz@sygnaturediscovery.com.
Abstract:
The Fragment Molecular Orbital Drug Design Consortium (FMODD) was founded in 2014 by volunteers from industry, academia, and government with the goal of promoting the Fragment Molecular Orbital (FMO) method as a practical and mainstream tool for structure-based drug design (SBDD). Although FMO offers superior accuracy and interpretability compared with classical molecular-mechanics approaches, its published use has historically been dominated by methodological development and retrospective analyses. FMODD was established to accelerate the prospective application of FMO in real drug discovery projects through coordinated academia-industry collaboration, access to high-performance computing infrastructure, standardized and automated workflows, and shared community resources such as the FMO Database (FMODB). Equally important, FMODD actively builds and supports a global user community through training, documentation, workshops, and peer support, thereby lowering barriers for new users and enabling the routine adoption of FMO within pharmaceutical SBDD workflows.
Related Concept Videos
Drug Discovery: Overview
Structure-Activity Relationships and Drug Design
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence its...
Biopharmaceutical Factors Influencing Drug Product Design: Overview
Hückel's Rule Diagram of π MOs: Frost Circle
A Frost circle is constructed by drawing a polygon whose number of edges is equal to the number of carbons of the given cyclic system, with one of the vertices pointing down. Then, a circle is drawn enclosing the polygon so that...
