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Molecular structure

Study on hydration characteristics and micromechanical properties of illite based on molecular dynamics

Mian Li, Zhangping Yan, [ ... ], Xin Tang

A multi-modal co-attention model for accurate drug-target interaction prediction

Wanjun Ma, Wenjun Li, [ ... ], Xiwei Tang

Multi-characterization-assisted construction of the molecular structure of high-volatile bituminous coal

Xiang Feng, Youquan Dou, [ ... ], Rudan Chen

GARN3: A coarse-grained helix centered technique for RNA 3D structures prediction

Jhonatan Silva, Johanne Cohen, Daniel Cordeiro

GraphTransDTI: A novel hybrid framework combining graph transformer and CNN-BiLSTM for enhanced Drug-Protein Interaction prediction

Van-Vang Le, Mai Thi Anh Nhu, Pham Truong Viet Thong

Drug sensitivity prediction across cancer types using graph isomorphism networks and biological pathway features: A dual-branch deep learning approach

Shuang Li, Quanzhong Yang, [ ... ], Weikai Zhang

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