Can molecular dynamics simulations improve predictions of protein-ligand binding affinity with machine learning?
Shukai Gu(Nano Carbon (Poland)), Yu Kang(Tianjin University), Tingjun Hou(Pharmaceutical Biotechnology (Czechia)), Huanxiang Liu(Nantong University), Rong Sheng(Zhejiang Normal University), Lei Xu(China Pharmaceutical University), Chao Shen(Zhejiang Lab), Zhe Wang(Southern Medical University), Jiahui Yu(Zhejiang Lab), Liwei Liu(Dalian Jiaotong University), Hong Zhao(Zhejiang Lab)
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