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Angular Deviation Diffuser: A Transformer-Based Diffusion Model for Efficient Protein Conformational Ensemble Generation

Published • Mar 10, 2025
NobleIDNI6P12W29R34S67
Authors:
YANG Y
,
Xiong C
,
Tao P

Abstract

Protein functionality is inherently tied to its structure, with both static and dynamic conformations playing critical roles in defining biological activity. While molecular dynamics (MD) simulations have long been the standard for exploring protein dynamics, they come with high computational costs ...

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