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Sponsored AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI

Author

Yuyang Wu

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Open access Sep 2026

High-throughput physics-based enzyme engineering

A scalable physics-based framework that combines field-aware machine learning with molecular mechanics to capture enzyme electrostatics at quantum-mechanical accuracy while enabling efficient, atomistic exploration of reaction free-energy landscapes is presented.

Xu-Jian Wang, X. Qiu, Yu-Yang Wu et al. · 0 citations
Preprint Aug 2026

MolecularCanvas: LLM-assisted Small-Molecule Drug Discovery via Structure-Guided Constraints

MolecularCanvas is an interactive system that enables users to iteratively construct an optimization context by integrating high-level goals, structure-level annotations, property constraints, and reference-based preferences that guides the generation of candidate molecules across diverse molecular structures.

Haoyu Dong, Rui Sheng, Shu-Hao Zhang et al. · 0 citations

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