Lili Xi

发表

Discovery of potential Toxoplasma gondii CDPK1 inhibitors with new scaffolds based on the combination of QSAR and scaffold‐hopping method with in vitro validation

Yafei Tian, Xiaojun Yao, Pengyi Zhang, 2020, Chemical biology & drug design.

In Silico Identification of Protein S-Palmitoylation Sites and Their Involvement in Human Inherited Disease

Lulu Ning, Huanxiang Liu, Xiaojun Yao, 2015, J. Chem. Inf. Model..

A combined molecular modeling study on gelatinases and their potent inhibitors

Shuyan Li, Juan Du, Huanxiang Liu, 2010, J. Comput. Chem..

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

Igor V. Tetko, Artem Cherkasov, Klaus-Robert Müller, 2010, J. Chem. Inf. Model..

In silico prediction of deleterious single amino acid polymorphisms from amino acid sequence

Biao Li, Shuyan Li, Huanxiang Liu, 2011, J. Comput. Chem..

THE VALIDITY OF DATA DEPENDENT SYSTEM MODELLING TO PREDICT RELATIVE PHYSIOLOGICAL WORKLOAD DURING CONSTRUCTION WORK

Tariq S. Abdelhamid, John G. Everett, Lili Xi, 2009 .

Structure‐based quantitative structure‐activity relationship studies of checkpoint kinase 1 inhibitors

Jing Lu, Juan Du, Huanxiang Liu, 2010, J. Comput. Chem..

Molecular modeling study of checkpoint kinase 1 inhibitors by multiple docking strategies and prime/MM–GBSA calculation

Huijun Sun, Ying Yang, Juan Du, 2011, J. Comput. Chem..

A sequence‐based computational model for the prediction of the solvent accessible surface area for α‐helix and β‐barrel transmembrane residues

Shuyan Li, Huanxiang Liu, Xiaojun Yao, 2012, J. Comput. Chem..

A novel method for protein‐ligand binding affinity prediction and the related descriptors exploration

Huanxiang Liu, Xiaojun Yao, Jiazhong Li, 2009, J. Comput. Chem..

On the tuning of electrical and thermal transport in thermoelectrics: an integrated theory–experiment perspective

David J. Singh, Jihui Yang, Wenqing Zhang, 2016 .

The “electron crystal” behavior in copper chalcogenides Cu2X (X = Se, S)

Jihui Yang, Wenqing Zhang, Xun Shi, 2017 .

Discovery of High-Performance Thermoelectric Chalcogenides through Reliable High-Throughput Material Screening.

Richard Dronskowski, Xin Sun, Wenqing Zhang, 2018, Journal of the American Chemical Society.

Chemical bonding, conductive network, and thermoelectric performance of the ternary semiconductors Cu2SnX3(X=Se,S) from first principles

David J. Singh, Jihui Yang, Wenqing Zhang, 2012 .

Electrical Transport Properties of Filled CoSb3 Skutterudites: A Theoretical Study

Jihui Yang, Lili Xi, L. D. Chen, 2009 .