RevGraphVAMP: A protein molecular simulation analysis model combining graph convolutional neural networks and physical constraints
Ying Huang, Huiling Zhang, Zhenli Lin, Yanjie Wei, Wenhui Xi
RevGraphVAMP improves protein simulation analysis by combining graph neural networks and physical constraints, achieving higher accuracy in dimensionality reduction and state transition prediction.
Methods · Jul 5, 2024Peer-reviewedBioinformatics