Can molecular dynamics simulations improve predictions of protein-ligand binding affinity with machine learning?
Shukai Gu(Zhejiang Lab), Yu Kang(Zhejiang Lab), Tingjun Hou(Zhejiang University), Huanxiang Liu(Macao Polytechnic University), Rong Sheng(Huawei Technologies (China)), Lei Xu(Chinese Academy of Sciences), Chao Shen(Zhejiang Lab), Zhe Wang(Zhejiang University), Jiahui Yu(Zhejiang Lab), Liwei Liu(Chongqing University of Posts and Telecommunications), Hong Zhao(Zhejiang Lab)
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