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◆ Methods in molecular biology (Clifton, N.J.)2026-01-01

Fragment Molecular Orbital Drug Design Consortium (FMODD): Bridging Academia and Industry Through Prospective FMO-Driven Drug Design.

Alexander Heifetz, Kaori Fukuzawa

原始摘要(英文原文)· Original 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.
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Fragment Molecular Orbital Drug Design Consortium (FMODD): Bridging Academia and Industry Through Prospective FMO-Driven Drug Design. — 科研速览 Science Skim