2026
Advancing Medicinal Chemistry Through FMO: Sygnature's Platform.
Alexander Heifetz, Girinath G. Pillai, A. Cavalleri et al.
· Methods in molecular biology · 0 citations
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2026
Beyond Small Molecules: Applying Fragment Molecular Orbital Sygnature Platform (FMO-SP) to Emerging Modalities.
The Fragment Molecular Orbital Sygnature Platform (FMO-SP) integrates quantum mechanics with automated workflows and intuitive visual analytics to provide residue-level, quantified energetic insights, supporting more predictive and resource-efficient drug discovery.
Alexander Heifetz, Girinath G. Pillai, Maryamdokht Taimoory et al.
· Methods in molecular biology · 0 citations
Review
2026
Perspectives on Hybridizing Quantum Mechanics and Artificial Intelligence for Drug Design.
This chapter presents the perspective of computational chemists at Sygnature Discovery on the growing need to integrate quantum mechanics (QM) with artificial intelligence (AI) to improve the efficiency and effectiveness of modern drug design.
Alexander Heifetz, Girinath G. Pillai, M. Quareshy et al.
· Methods in molecular biology · 0 citations
2026
Integrating AI-Based Protein Modeling and Fragment Molecular Orbital Analysis for Structure-Based Drug Design.
Alessio Atzori, L. Birch, Colin Sambrook Smith et al.
· Methods in molecular biology · 0 citations