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Zhihua Tian

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Book Open access Aug 2026

PRIME: A Pretrained Representation-Induced Model for 3D Molecules in De Novo Binder Design

Semantics-Preserving Exploratory Sampling (SPES), which integrates Graph Laplacian Spectral Noise to respect chain connectivity and Conditional Freedom Modulation to dynamically balance exploration with fidelity, enables diversity-enhanced generation without sacrificing geometric validity under the reported structural metrics, improving the empirical exploration--fidelity trade-off.

Zhihua Tian, Jiale Zhou, Rubo Wang et al. · 0 citations