A novel method for protein-ligand binding affinity prediction and the related descriptors exploration. - Shuyan Li; Lili Xi; Chengqi Wang; Jiazhong Li; Beilei Lei; Huanxiang Liu; Xiaojun Yao (J. Comput. Chem., 2009)

Structure-based quantitative structure-activity relationship studies of checkpoint kinase 1 inhibitors. - Juan Du 003; Lili Xi; Beilei Lei; Jing Lu; Jiazhong Li; Huanxiang Liu; Xiaojun Yao (J. Comput. Chem., 2010)

A combined molecular modeling study on gelatinases and their potent inhibitors. - Lili Xi; Juan Du 003; Shuyan Li; Jiazhong Li; Huanxiang Liu; Xiaojun Yao (J. Comput. Chem., 2010)

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set. - Iurii Sushko; Sergii Novotarskyi; Robert Körner; Anil Kumar Pandey; Artem Cherkasov; Jiazhong Li; Paola Gramatica; Katja Hansen; Timon Schroeter; Klaus-Robert Müller; Lili Xi; Huanxiang Liu; et al. (J. Chem. Inf. Model., 2010)

Molecular modeling study of checkpoint kinase 1 inhibitors by multiple docking strategies and prime/MM-GBSA calculation. - Juan Du 003; Huijun Sun; Lili Xi; Jiazhong Li; Ying Yang; Huanxiang Liu; Xiaojun Yao (J. Comput. Chem., 2011)

In silico prediction of deleterious single amino acid polymorphisms from amino acid sequence. - Shuyan Li; Lili Xi; Jiazhong Li; Chengqi Wang; Beilei Lei; Yulin Shen; Huanxiang Liu; Xiaojun Yao; Biao Li (J. Comput. Chem., 2011)

A sequence-based computational model for the prediction of the solvent accessible surface area for α-helix and β-barrel transmembrane residues. - Chengqi Wang; Lili Xi; Shuyan Li; Huanxiang Liu; Xiaojun Yao (J. Comput. Chem., 2012)

In Silico Identification of Protein S-Palmitoylation Sites and Their Involvement in Human Inherited Disease. - Shuyan Li; Jiazhong Li; Lulu Ning; Shaopeng Wang; Yuzhen Niu; Nengzhi Jin; Xiaojun Yao; Huanxiang Liu; Lili Xi (J. Chem. Inf. Model., 2015)

ATBdiscrimination: An in Silico Tool for Identification of Active Tuberculosis Disease Based on Routine Blood Test and T-SPOT.TB Detection Results. - Jiangpeng Wu; Jun Bai; Wei Wang; Lili Xi; Pengyi Zhang; Jingfeng Lan; Liansheng Zhang; Shuyan Li (J. Chem. Inf. Model., 2019)

GCdiscrimination: identification of gastric cancer based on a milliliter of blood. - Jiangpeng Wu; Yifan Yang; Long Cheng; Jing Wu; Lili Xi; Ying Ma; Pengyi Zhang; Xiaoying Xu; Dekui Zhang; Shuyan Li (Briefings Bioinform., 2021)

Identification Tool for Gastric Cancer Based on Integration of 33 Clinical Available Blood Indices Through Deep Learning. - Bowen Zhang; Long Cheng; Yuzhen Niu; Aming Wang; Pengyi Zhang; Tiantian Shen; Lili Xi; Dekui Zhang; Shuyan Li (IEEE Access, 2022)