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MedicineChemistryComputer Science

Molecular dynamics simulations and novel drug discovery

Xuewei Liu, Danfeng Shi, Shuangyan Zhou, Hongli Liu, Huanxiang Liu, X. Yao

2018.1.2Expert Opinion on Drug Discovery

DOI: 10.1080/17460441.2018.1403419

tlooto Summary

In this review, the authors review the applications of MD simulations in novel drug discovery, including the pathogenic mechanisms of amyloidosis diseases, virtual screening and the interaction mechanisms between drugs and targets.

Abstract

Abstract is not available.

Citation format

LIU, Xuewei, et al. Molecular dynamics simulations and novel drug discovery. Expert Opinion on Drug Discovery, 2018, 13: 23–37.