Bridging the Biophysical Gap: Holistic Environmental Awareness for 3D Linker Design
LinkerBridge is proposed, an equivariant framework that unifies biochemical semantics with physical constraints through two innovations: a Contextual Interaction-Aware Representation module that internalizes pre-existing bio-chemical semantics and a Differentiable Physical Guidance mechanism derived from Van der Waals potentials to steer generation away from collision zones.
Mengwei Sun, Chengwei Ai, Xiaoyi Liu et al.
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